SCHEMBL3950201

SCHEMBL3950201

CCN(CC)C1CCN(c2ccc(Nc3nc(Nc4ccccc4S(C)(=O)=O)c4cn[nH]c4n3)c(OC(C)C)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FES P07332 2/20 0.66
▸ FLT3 P36888 2/20 0.66
▸ ALK Q9UM73 15/20 0.54
▸ INSR P06213 5/20 0.54
▸ NPM1 P06748 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ TTK P33981 4/20 0.53
▸ FGFR1 P11362 2/20 0.52
▸ FGFR2 P21802 2/20 0.52
▸ FGFR4 P22455 2/20 0.52
▸ FGFR3 P22607 2/20 0.52
▸ IGF1R P08069 2/20 0.50
▸ ZAP70 P43403 2/20 0.48
▸ BMPR1B O00238 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ STK25 O00506 1/20 0.46
▸ RIOK3 O14730 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ CASK O14936 1/20 0.46

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
SCHEMBL3959984 0.90 FES (0.80) FESFLT3ALKINSRNPM1
SCHEMBL18018899 0.87 ALK (0.53) FESFLT3ALKINSRTTK
SCHEMBL3953378 0.85 ALK (0.55) FESFLT3ALKINSRTTK
SCHEMBL3954360 0.83 FES (0.86) FESFLT3ALKINSRTTK
SCHEMBL3952863 0.81 ALK (0.75) FESFLT3ALKINSRNPM1
SCHEMBL3950992 0.80 ZAP70 (0.63) FESFLT3ALKINSRTTK
SCHEMBL3958582 0.80 FES (0.87) FESFLT3ALKINSRNPM1
SCHEMBL3954048 0.80 FES (1.00) FESFLT3ALKINSRNPM1
SCHEMBL3951761 0.79 ALK (0.61) FESFLT3ALKINSRTTK
SCHEMBL4051190 0.78 FES (0.72) FESFLT3ALKINSRNPM1

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 3 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
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