SCHEMBL4725975

SCHEMBL4725975

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)N(C)C3CCN(C)CC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
RAF1 P04049 14/20 0.41
BRAF P15056 14/20 0.41
EGLN1 Q9GZT9 2/20 0.41
MCHR1 Q99705 1/20 0.38
GPR119 Q8TDV5 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
SCHEMBL4728336 0.89 MAPK14 (0.39) MAPK14RAF1BRAF
SCHEMBL4726017 0.88 CCNT1 (0.41) MAPK14RAF1BRAFEGLN1
SCHEMBL4730515 0.87 RAF1 (0.39) MAPK14RAF1BRAF
SCHEMBL4725979 0.86 MAPK14 (0.43) MAPK14RAF1BRAFEGLN1
SCHEMBL4725924 0.83 MAPK14 (0.43) MAPK14RAF1BRAF
SCHEMBL4728370 0.83 MAPK14 (0.45) MAPK14RAF1BRAF
SCHEMBL4727823 0.83 MAPK14 (0.45) MAPK14RAF1BRAF
SCHEMBL4782731 0.82 RAF1 (0.39) MAPK14RAF1BRAF
SCHEMBL4730781 0.82 RAF1 (0.38) MAPK14RAF1BRAF
SCHEMBL4783017 0.82 MAPK14 (0.41) MAPK14RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed