SCHEMBL4052796

SCHEMBL4052796

COc1cc(N2CCOCC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.83
▸ TTK P33981 7/20 0.83
▸ PTK2 Q05397 4/20 0.83
▸ INSR P06213 3/20 0.83
▸ GAK O14976 1/20 0.83
▸ IGF1R P08069 1/20 0.83
▸ INSRR P14616 1/20 0.83
▸ MAPK1 P28482 1/20 0.83
▸ LTK P29376 1/20 0.83
▸ CLK1 P49759 1/20 0.83
▸ TNK2 Q07912 1/20 0.83
▸ TNK1 Q13470 1/20 0.83
▸ PTK2B Q14289 1/20 0.83
▸ NPM1 P06748 2/20 0.56
▸ FES P07332 1/20 0.53
▸ FLT3 P36888 1/20 0.53
▸ ZAP70 P43403 1/20 0.52

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 0.92 ALK (0.84) ALKTTKPTK2INSRGAK
SCHEMBL29446184 0.91 ALK (1.00) ALKTTKPTK2INSRGAK
SCHEMBL4051419 0.91 ALK (1.00) ALKTTKPTK2INSRGAK
SCHEMBL29446147 0.91 ALK (1.00) ALKTTKPTK2INSRGAK
SCHEMBL4052384 0.90 ALK (0.87) ALKTTKPTK2INSRGAK
SCHEMBL4052581 0.88 ALK (0.80) ALKTTKPTK2INSRGAK
SCHEMBL17731736 0.87 TTK (1.00) ALKTTKPTK2INSRGAK
SCHEMBL4050498 0.87 ALK (0.81) ALKTTKPTK2INSRGAK
SCHEMBL4056762 0.86 ALK (0.85) ALKTTKPTK2INSRGAK
SCHEMBL4058870 0.85 ALK (0.89) ALKTTKPTK2INSRGAK

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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