SCHEMBL3952863

SCHEMBL3952863

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2S(C)(=O)=O)c2cn[nH]c2n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.75
▸ IGF1R P08069 11/20 0.75
▸ INSR P06213 11/20 0.75
▸ FES P07332 4/20 0.72
▸ FLT3 P36888 4/20 0.72
▸ EGFR P00533 7/20 0.65
▸ PTK2 Q05397 4/20 0.65
▸ PTK2B Q14289 4/20 0.65
▸ STK10 O94804 3/20 0.65
▸ ABL1 P00519 3/20 0.65
▸ LCK P06239 3/20 0.65
▸ FYN P06241 3/20 0.65
▸ YES1 P07947 3/20 0.65
▸ HCK P08631 3/20 0.65
▸ ROS1 P08922 3/20 0.65
▸ FER P16591 3/20 0.65
▸ LTK P29376 3/20 0.65
▸ FRK P42685 3/20 0.65
▸ BTK Q06187 3/20 0.65
▸ CAMK2G Q13555 3/20 0.65

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3953410 0.93 FES (0.82) ALKIGF1RINSRFESFLT3
SCHEMBL3954360 0.91 FES (0.86) ALKIGF1RINSRFESFLT3
SCHEMBL4045834 0.87 FES (0.84) ALKIGF1RINSRFESFLT3
SCHEMBL18018887 0.86 ALK (0.76) ALKIGF1RINSRFESFLT3
SCHEMBL22985890 0.85 FES (0.60) ALKIGF1RINSRFESFLT3
SCHEMBL3959984 0.84 FES (0.80) ALKIGF1RINSRFESFLT3
SCHEMBL22985861 0.84 FES (0.59) ALKIGF1RINSRFESFLT3
SCHEMBL3954048 0.84 FES (1.00) ALKIGF1RINSRFESFLT3
SCHEMBL13395587 0.84 ALK (0.85) ALKIGF1RINSRFESFLT3
SCHEMBL19867180 0.84 ALK (0.75) ALKIGF1RINSRFESFLT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032694-A1 AMINO SUBSTITUTED PYRIMIDINE, PYROLLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AND IN TREATING PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS DANA FARBER CANCER INSTITUTE (US) 2009-03-12 — — WO claimed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 — — WO disclosed
WO-2009032694-A1 AMINO SUBSTITUTED PYRIMIDINE, PYROLLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AND IN TREATING PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS DANA FARBER CANCER INSTITUTE (US) 2009-03-12 — — WO disclosed
WO-2009032694-A1 AMINO SUBSTITUTED PYRIMIDINE, PYROLLOPYRIDINE AND PYRAZOLOPYRIMIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AND IN TREATING PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS DANA FARBER CANCER INSTITUTE (US) 2009-03-12 — — WO disclosed
WO-2009032703-A1 2- (HET) ARYLAMINO-6-AMINOPYRIDINE DERIVATIVES AND FUSED FORMS THEREOF AS ANAPLASTIC LYMPHOMA KINASE INHIBITORS IRM LLC (BM) 2009-03-12 — — WO disclosed
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