SCHEMBL4050498

SCHEMBL4050498

COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 14/20 0.81
▸ INSR P06213 7/20 0.81
▸ PTK2 Q05397 7/20 0.81
▸ IGF1R P08069 5/20 0.81
▸ TTK P33981 4/20 0.81
▸ PTK2B Q14289 4/20 0.81
▸ GAK O14976 3/20 0.81
▸ LTK P29376 3/20 0.81
▸ TNK2 Q07912 3/20 0.81
▸ TNK1 Q13470 3/20 0.81
▸ INSRR P14616 2/20 0.81
▸ MAPK1 P28482 2/20 0.81
▸ CLK1 P49759 2/20 0.81
▸ FES P07332 3/20 0.70
▸ FLT3 P36888 3/20 0.70
▸ NPM1 P06748 3/20 0.70
▸ BMPR1B O00238 2/20 0.70
▸ PLK4 O00444 2/20 0.70
▸ ERN1 O75460 2/20 0.70
▸ STK10 O94804 2/20 0.70

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
SCHEMBL4051438 0.94 ALK (0.84) ALKINSRPTK2IGF1RTTK
SCHEMBL4051419 0.90 ALK (1.00) ALKINSRPTK2IGF1RTTK
SCHEMBL29446184 0.90 ALK (1.00) ALKINSRPTK2IGF1RTTK
SCHEMBL29446147 0.90 ALK (1.00) ALKINSRPTK2IGF1RTTK
SCHEMBL4052384 0.89 ALK (0.87) ALKINSRPTK2IGF1RTTK
SCHEMBL4052796 0.87 ALK (0.83) ALKINSRPTK2IGF1RTTK
SCHEMBL11900626 0.87 ALK (0.78) ALKINSRPTK2IGF1RTTK
SCHEMBL4052581 0.85 ALK (0.80) ALKINSRPTK2IGF1RTTK
SCHEMBL4058870 0.84 ALK (0.89) ALKINSRPTK2IGF1RTTK
SCHEMBL4056762 0.84 ALK (0.85) ALKINSRPTK2IGF1RTTK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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
Send feedback