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CompoundTarget IDProtein nameProtein familyGene symbolGene IDOrganismScoreRank

[1] Untitled

Original SMILES:
[nH]1c2C(c3c(C(=O)c2c2ccc(cc12)C#N)cc(c(c3)N1CCC(CC1)N1CCOCC1)CC)(C)C

Prepared SMILES:
CCc1cc2C(=O)c3c4ccc(cc4[nH]c3C(c2cc1N1CCC(CC1)N1CCOCC1)(C)C)C#N

Q9UM73ALK tyrosine kinase receptor (EC 2.7.10.1) (Anaplastic lymphoma kinase) (CD ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyALK238;Homo sapiens (Human)3.887Known
P08922Proto-oncogene tyrosine-protein kinase ROS (EC 2.7.10.1) (Proto-oncogene c-Ros) (Proto-oncogene c-Ros-1) ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyROS16098;Homo sapiens (Human)3.75791
P29376Leukocyte tyrosine kinase receptor (EC 2.7.10.1) (Protein tyrosine kinase 1)Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyLTK4058;Homo sapiens (Human)3.155412
P07949Proto-oncogene tyrosine-protein kinase receptor Ret (EC 2.7.10.1) (Cadherin family member ...Protein kinase superfamily, Tyr protein kinase familyRET5979;Homo sapiens (Human)2.93445Known
P21802Fibroblast growth factor receptor 2 (FGFR-2) (EC 2.7.10.1) (K-sam) (KGFR) ...Protein kinase superfamily, Tyr protein kinase family, Fibroblast growth factor ...FGFR22263;Homo sapiens (Human)2.701023
P11362Fibroblast growth factor receptor 1 (FGFR-1) (EC 2.7.10.1) (Basic fibroblast ...Protein kinase superfamily, Tyr protein kinase family, Fibroblast growth factor ...FGFR12260;Homo sapiens (Human)2.606624
P04629High affinity nerve growth factor receptor (EC 2.7.10.1) (Neurotrophic tyrosine ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyNTRK14914;Homo sapiens (Human)2.552335
P36888Receptor-type tyrosine-protein kinase FLT3 (EC 2.7.10.1) (FL cytokine receptor) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyFLT32322;Homo sapiens (Human)2.380176
Q07912Activated CDC42 kinase 1 (ACK-1) (EC 2.7.10.2) (EC 2.7.11.1) (Tyrosine ...Protein kinase superfamily, Tyr protein kinase familyTNK210188;Homo sapiens (Human)2.221857
O14965Aurora kinase A (EC 2.7.11.1) (Aurora 2) (Aurora/IPL1-related kinase 1) ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKA6790;Homo sapiens (Human)2.215538
P08069Insulin-like growth factor 1 receptor (EC 2.7.10.1) (Insulin-like growth factor ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyIGF1R3480;Homo sapiens (Human)2.173829
P35916Vascular endothelial growth factor receptor 3 (VEGFR-3) (EC 2.7.10.1) (Fms-like ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyFLT42324;Homo sapiens (Human)2.1546910
P22607Fibroblast growth factor receptor 3 (FGFR-3) (EC 2.7.10.1) (CD antigen ...Protein kinase superfamily, Tyr protein kinase family, Fibroblast growth factor ...FGFR32261;Homo sapiens (Human)2.0780911
P07333Macrophage colony-stimulating factor 1 receptor (CSF-1 receptor) (CSF-1-R) (CSF-1R) (M-CSF-R) ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyCSF1R1436;Homo sapiens (Human)2.0777312
P27986Phosphatidylinositol 3-kinase regulatory subunit alpha (PI3-kinase regulatory subunit alpha) (PI3K ...PI3K p85 subunit familyPIK3R15295;Homo sapiens (Human)2.0435913
P10721Mast/stem cell growth factor receptor Kit (SCFR) (EC 2.7.10.1) (Piebald ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKIT3815;Homo sapiens (Human)2.0153814
P366397,8-dihydro-8-oxoguanine triphosphatase (EC 3.6.1.55) (2-hydroxy-dATP diphosphatase) (EC 3.6.1.56) (8-oxo-dGTPase) (Nucleoside ...Nudix hydrolase familyNUDT14521;Homo sapiens (Human)1.7994315
P12931Proto-oncogene tyrosine-protein kinase Src (EC 2.7.10.2) (Proto-oncogene c-Src) (pp60c-src) (p60-Src)Protein kinase superfamily, Tyr protein kinase family, SRC subfamilySRC6714;Homo sapiens (Human)1.7823416
P16591Tyrosine-protein kinase Fer (EC 2.7.10.2) (Feline encephalitis virus-related kinase FER) ...Protein kinase superfamily, Tyr protein kinase family, Fes/fps subfamilyFER2241;Homo sapiens (Human)1.7716417
Q16620BDNF/NT-3 growth factors receptor (EC 2.7.10.1) (GP145-TrkB) (Trk-B) (Neurotrophic tyrosine ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyNTRK24915;Homo sapiens (Human)1.7715118
Q9Y5N1Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)G-protein coupled receptor 1 familyHRH311255;Homo sapiens (Human)1.748819
P42685Tyrosine-protein kinase FRK (EC 2.7.10.2) (FYN-related kinase) (Nuclear tyrosine protein ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyFRK2444;Homo sapiens (Human)1.7245120
Q96GD4Aurora kinase B (EC 2.7.11.1) (Aurora 1) (Aurora- and IPL1-like ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKB9212;Homo sapiens (Human)1.6841221
P30530Tyrosine-protein kinase receptor UFO (EC 2.7.10.1) (AXL oncogene)Protein kinase superfamily, Tyr protein kinase family, AXL/UFO subfamilyAXL558;Homo sapiens (Human)1.663822
O60674Tyrosine-protein kinase JAK2 (EC 2.7.10.2) (Janus kinase 2) (JAK-2)Protein kinase superfamily, Tyr protein kinase family, JAK subfamilyJAK23717;Homo sapiens (Human)1.6500123
Q05397Focal adhesion kinase 1 (FADK 1) (EC 2.7.10.2) (Focal adhesion ...Protein kinase superfamily, Tyr protein kinase family, FAK subfamilyPTK25747;Homo sapiens (Human)1.6455624
P07948Tyrosine-protein kinase Lyn (EC 2.7.10.2) (Lck/Yes-related novel protein tyrosine kinase) ...Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyLYN4067;Homo sapiens (Human)1.6345125
P00533Epidermal growth factor receptor (EC 2.7.10.1) (Proto-oncogene c-ErbB-1) (Receptor tyrosine-protein ...Protein kinase superfamily, Tyr protein kinase family, EGF receptor subfamilyEGFR1956;Homo sapiens (Human)1.5973526
P17948Vascular endothelial growth factor receptor 1 (VEGFR-1) (EC 2.7.10.1) (Fms-like ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyFLT12321;Homo sapiens (Human)1.5500127
Q16288NT-3 growth factor receptor (EC 2.7.10.1) (GP145-TrkC) (Trk-C) (Neurotrophic tyrosine ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyNTRK34916;Homo sapiens (Human)1.5247728
P07947Tyrosine-protein kinase Yes (EC 2.7.10.2) (Proto-oncogene c-Yes) (p61-Yes)Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyYES17525;Homo sapiens (Human)1.5080829
Q04912Macrophage-stimulating protein receptor (MSP receptor) (EC 2.7.10.1) (CDw136) (Protein-tyrosine kinase ...Protein kinase superfamily, Tyr protein kinase familyMST1R4486;Homo sapiens (Human)1.4845230
P06213Insulin receptor (IR) (EC 2.7.10.1) (CD antigen CD220) [Cleaved into: ...Protein kinase superfamily, Tyr protein kinase family, Insulin receptor subfamilyINSR3643;Homo sapiens (Human)1.4666831
Q02763Angiopoietin-1 receptor (EC 2.7.10.1) (Endothelial tyrosine kinase) (Tunica interna endothelial ...Protein kinase superfamily, Tyr protein kinase family, Tie subfamilyTEK7010;Homo sapiens (Human)1.4643732
Q9Y4K4Mitogen-activated protein kinase kinase kinase kinase 5 (EC 2.7.11.1) (Kinase ...Protein kinase superfamily, STE Ser/Thr protein kinase family, STE20 subfamilyMAP4K511183;Homo sapiens (Human)1.4418933
P35968Vascular endothelial growth factor receptor 2 (VEGFR-2) (EC 2.7.10.1) (Fetal ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyKDR3791;Homo sapiens (Human)1.38847Known
P16234Platelet-derived growth factor receptor alpha (PDGF-R-alpha) (PDGFR-alpha) (EC 2.7.10.1) (Alpha ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRA5156;Homo sapiens (Human)1.37534
Q16539Mitogen-activated protein kinase 14 (MAP kinase 14) (MAPK 14) (EC ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, MAP kinase ...MAPK141432;Homo sapiens (Human)1.3728335
Q13882Protein-tyrosine kinase 6 (EC 2.7.10.2) (Breast tumor kinase) (Tyrosine-protein kinase ...Protein kinase superfamily, Tyr protein kinase family, BRK/PTK6/SIK subfamilyPTK65753;Homo sapiens (Human)1.3723336
Q06187Tyrosine-protein kinase BTK (EC 2.7.10.2) (Agammaglobulinemia tyrosine kinase) (ATK) (B-cell ...Protein kinase superfamily, Tyr protein kinase family, TEC subfamilyBTK695;Homo sapiens (Human)1.3631337
P49116Nuclear receptor subfamily 2 group C member 2 (Orphan nuclear ...Nuclear hormone receptor family, NR2 subfamilyNR2C27182;Homo sapiens (Human)1.361638
P089085-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A)G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamilyHTR1A3350;Homo sapiens (Human)1.3103339
Q12851Mitogen-activated protein kinase kinase kinase kinase 2 (EC 2.7.11.1) (B ...Protein kinase superfamily, STE Ser/Thr protein kinase family, STE20 subfamilyMAP4K25871;Homo sapiens (Human)1.2615340
Q9UQB9Aurora kinase C (EC 2.7.11.1) (Aurora 3) (Aurora/IPL1-related kinase 3) ...Protein kinase superfamily, Ser/Thr protein kinase family, Aurora subfamilyAURKC6795;Homo sapiens (Human)1.2244841
Q5S007Leucine-rich repeat serine/threonine-protein kinase 2 (EC 2.7.11.1) (Dardarin)Protein kinase superfamily, TKL Ser/Thr protein kinase familyLRRK2120892;Homo sapiens (Human)1.2041742
P09619Platelet-derived growth factor receptor beta (PDGF-R-beta) (PDGFR-beta) (EC 2.7.10.1) (Beta ...Protein kinase superfamily, Tyr protein kinase family, CSF-1/PDGF receptor subfamilyPDGFRB5159;Homo sapiens (Human)1.1953743
P08581Hepatocyte growth factor receptor (HGF receptor) (EC 2.7.10.1) (HGF/SF receptor) ...Protein kinase superfamily, Tyr protein kinase familyMET4233;Homo sapiens (Human)1.1874444
P24941Cyclin-dependent kinase 2 (EC 2.7.11.22) (Cell division protein kinase 2) ...Protein kinase superfamily, CMGC Ser/Thr protein kinase family, CDC2/CDKX subfamilyCDK21017;Homo sapiens (Human)1.1783945
O00444Serine/threonine-protein kinase PLK4 (EC 2.7.11.21) (Polo-like kinase 4) (PLK-4) (Serine/threonine-protein ...Protein kinase superfamily, Ser/Thr protein kinase family, CDC5/Polo subfamilyPLK410733;Homo sapiens (Human)1.1692746
P51451Tyrosine-protein kinase Blk (EC 2.7.10.2) (B lymphocyte kinase) (p55-Blk)Protein kinase superfamily, Tyr protein kinase family, SRC subfamilyBLK640;Homo sapiens (Human)1.1658547
P52333Tyrosine-protein kinase JAK3 (EC 2.7.10.2) (Janus kinase 3) (JAK-3) (Leukocyte ...Protein kinase superfamily, Tyr protein kinase family, JAK subfamilyJAK33718;Homo sapiens (Human)1.1576548
Q12866Tyrosine-protein kinase Mer (EC 2.7.10.1) (Proto-oncogene c-Mer) (Receptor tyrosine kinase ...Protein kinase superfamily, Tyr protein kinase family, AXL/UFO subfamilyMERTK10461;Homo sapiens (Human)1.1576349
P51812Ribosomal protein S6 kinase alpha-3 (S6K-alpha-3) (EC 2.7.11.1) (90 kDa ...Protein kinase superfamily, AGC Ser/Thr protein kinase family, S6 kinase ...RPS6KA36197;Homo sapiens (Human)1.1429550

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
191272025-11-17
15:06:35		Target proteinsWeighted Substructure-Drug-Target Network-Based Inference (wSDTNBI)Global drug-target interaction (DTI) network (version 2020)Morgan fingerprint, similar to FCFP_4 Downloadα = 0.4, β = 0.2, γ = -0.5, k = 2, Top 50Download

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