SCHEMBL17604534

SCHEMBL17604534

Cc1nc(-c2cc(-c3c[nH]nn3)ccn2)c(-c2ccc(F)cc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 17/20 0.46
▸ GSK3B P49841 4/20 0.46
▸ MAPK13 O15264 8/20 0.42
▸ MAPK12 P53778 8/20 0.42
▸ MAPK11 Q15759 8/20 0.42
▸ GCGR P47871 3/20 0.42
▸ ALOX5 P09917 1/20 0.38
▸ PHF8 Q9UPP1 1/20 0.38
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ FRK P42685 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ PTK6 Q13882 1/20 0.37
▸ PRKD2 Q9BZL6 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ BRAF P15056 1/20 0.37

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
SCHEMBL17604614 0.75 MAPK14 (0.46) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL17686564 0.75 PHF8 (0.66) MAPK14PHF8
SCHEMBL5371873 0.71 KDM4E (0.67) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL17604530 0.70 MAPK14 (0.35) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL27335373 0.70 MAPK14 (0.69) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL105252 0.69 RAB9A (0.40) GSK3BALOX5CLK4
SCHEMBL30574759 0.68 IDO1 (0.51) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL23416081 0.67 MAPK14 (0.47) MAPK14
SCHEMBL7089424 0.65 MAPK14 (0.46) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL18041684 0.65 TGFBR1 (0.53) MAPK14GSK3BMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3193881-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 — — EP disclosed
WO-2016044342-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 — — WO disclosed
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