SCHEMBL7567370

SCHEMBL7567370

CCN(c1ccccc1)c1nccc(-n2cnc3ccc(C(F)(F)F)cc32)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 3/20 0.46
▸ LCK P06239 6/20 0.40
▸ CDC7 O00311 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ MKNK2 Q9HBH9 4/20 0.39
▸ MKNK1 Q9BUB5 3/20 0.39
▸ CNR2 P34972 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL7025397 0.85 MAP3K14 (0.49) MAP3K14LCKROCK1MKNK2MKNK1
SCHEMBL7017821 0.84 LCK (0.56) MAP3K14LCKROCK1MKNK2MKNK1
SCHEMBL7508933 0.78 LCK (0.56) MAP3K14LCKROCK1MKNK2MKNK1
SCHEMBL7497927 0.77 MAP3K14 (0.41) MAP3K14LCKROCK1MKNK2MKNK1
SCHEMBL7017709 0.73 LCK (0.74) LCKMKNK2MKNK1
SCHEMBL7017711 0.73 MKNK2 (0.63) LCKMKNK2MKNK1
SCHEMBL19848423 0.73 HTT (0.59) ALDH1A1HPGDMAPK1HTTMAPK10
SCHEMBL7499093 0.71 MAP3K14 (0.37) MAP3K14LCKROCK1MKNK2MKNK1
SCHEMBL7018158 0.70 LCK (0.46) LCKMKNK2MKNK1HPGD
SCHEMBL7658448 0.69 LCK (0.40) MAP3K14LCKCDK2ROCK1MKNK2

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
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 — — EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 — — EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 — — WO disclosed
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