SCHEMBL4053000

SCHEMBL4053000

COc1cc(C(=O)N2CCC(N3CCCCC3)CC2)ccc1Nc1nc(N)c(Cl)c(Nc2ccccc2S(C)(=O)=O)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 11/20 0.53
▸ ALK Q9UM73 2/20 0.52
▸ INSR P06213 1/20 0.52
▸ IGF1R P08069 1/20 0.52
▸ MAPK7 Q13164 1/20 0.52
▸ EGFR P00533 5/20 0.49
▸ BRD4 O60885 1/20 0.47
▸ BRDT Q58F21 1/20 0.47
▸ ZAP70 P43403 1/20 0.47

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
SCHEMBL4052463 0.94 ALK (0.48) LRRK2ALKINSRIGF1RMAPK7
SCHEMBL4051444 0.93 ALK (0.55) LRRK2ALKINSRIGF1RMAPK7
SCHEMBL13906274 0.92 ALK (0.56) LRRK2ALKINSRIGF1RMAPK7
SCHEMBL3956410 0.91 ZAP70 (0.53) LRRK2ALKINSRIGF1RMAPK7
SCHEMBL13906312 0.89 LRRK2 (0.59) LRRK2ALKINSRIGF1REGFR
SCHEMBL4048691 0.88 ALK (0.55) LRRK2ALKINSRIGF1RMAPK7
SCHEMBL3953268 0.87 ALK (0.55) LRRK2ALKINSRIGF1RMAPK7
SCHEMBL3956400 0.87 ALK (0.62) LRRK2ALKINSRIGF1RMAPK7
SCHEMBL3956401 0.86 ZAP70 (0.52) LRRK2ALKINSRIGF1RMAPK7
SCHEMBL18018900 0.85 MAPK7 (0.55) LRRK2ALKINSRIGF1RMAPK7

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
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