SCHEMBL4729211

SCHEMBL4729211

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NC3CCC(F)(F)CC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
EGLN1 Q9GZT9 1/20 0.40
RAF1 P04049 13/20 0.39
BRAF P15056 9/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
RET P07949 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL4725924 0.94 MAPK14 (0.43) MAPK14RAF1BRAFRET
SCHEMBL4783017 0.92 MAPK14 (0.41) MAPK14RAF1BRAFRET
SCHEMBL4727320 0.91 CNR2 (0.42) MAPK14RAF1BRAFRET
SCHEMBL4730967 0.90 RAF1 (0.44) MAPK14EGLN1RAF1BRAF
SCHEMBL4726017 0.89 CCNT1 (0.41) MAPK14EGLN1RAF1BRAFRET
SCHEMBL4728315 0.86 MAPK14 (0.38) MAPK14RAF1BRAF
SCHEMBL4727823 0.84 MAPK14 (0.45) MAPK14RAF1BRAF
SCHEMBL4728370 0.84 MAPK14 (0.45) MAPK14RAF1BRAF
SCHEMBL4730324 0.84 MAPK14 (0.42) MAPK14RAF1BRAF
SCHEMBL4729989 0.84 MAPK14 (0.43) 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