SCHEMBL4056762

SCHEMBL4056762

COc1cc(N2CCCC(O)C2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 13/20 0.85
▸ TTK P33981 5/20 0.85
▸ INSR P06213 4/20 0.85
▸ GAK O14976 2/20 0.85
▸ IGF1R P08069 2/20 0.85
▸ LTK P29376 2/20 0.85
▸ PTK2 Q05397 2/20 0.85
▸ TNK2 Q07912 2/20 0.85
▸ TNK1 Q13470 2/20 0.85
▸ PTK2B Q14289 2/20 0.85
▸ INSRR P14616 1/20 0.85
▸ MAPK1 P28482 1/20 0.85
▸ CLK1 P49759 1/20 0.85
▸ FES P07332 2/20 0.55
▸ FLT3 P36888 2/20 0.55
▸ NPM1 P06748 3/20 0.54
▸ BMPR1B O00238 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ ERN1 O75460 1/20 0.48
▸ STK10 O94804 1/20 0.48

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
SCHEMBL4051419 0.92 ALK (1.00) ALKTTKINSRGAKIGF1R
SCHEMBL29446184 0.92 ALK (1.00) ALKTTKINSRGAKIGF1R
SCHEMBL29446147 0.92 ALK (1.00) ALKTTKINSRGAKIGF1R
SCHEMBL4052384 0.87 ALK (0.87) ALKTTKINSRGAKIGF1R
SCHEMBL4051438 0.87 ALK (0.84) ALKTTKINSRGAKIGF1R
SCHEMBL4058870 0.86 ALK (0.89) ALKTTKINSRGAKIGF1R
SCHEMBL4052796 0.86 ALK (0.83) ALKTTKINSRGAKIGF1R
SCHEMBL4046968 0.85 ALK (0.86) ALKTTKINSRGAKIGF1R
SCHEMBL4052581 0.84 ALK (0.80) ALKTTKINSRGAKIGF1R
SCHEMBL4050498 0.84 ALK (0.81) ALKTTKINSRGAKIGF1R

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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