SCHEMBL4730967

SCHEMBL4730967

COc1c(C#N)cc(C(C)(C)C)cc1C(=O)Nc1cnc(C)c(-c2ccc(C(=O)NC3CCOCC3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 17/20 0.44
BRAF P15056 14/20 0.44
MAPK14 Q16539 2/20 0.40
GSK3A P49840 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39

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 0.95 MAPK14 (0.43) RAF1BRAFMAPK14
SCHEMBL4783017 0.93 MAPK14 (0.41) RAF1BRAFMAPK14
SCHEMBL4727320 0.93 CNR2 (0.42) RAF1BRAFMAPK14
SCHEMBL4726017 0.91 CCNT1 (0.41) RAF1BRAFMAPK14GSK3AEGLN1
SCHEMBL4729211 0.90 MAPK14 (0.40) RAF1BRAFMAPK14EGLN1
SCHEMBL4784021 0.87 RAF1 (0.51) RAF1BRAF
SCHEMBL4727373 0.86 RAF1 (0.47) RAF1BRAFMAPK14
SCHEMBL4728370 0.85 MAPK14 (0.45) RAF1BRAFMAPK14
SCHEMBL4727823 0.85 MAPK14 (0.45) RAF1BRAFMAPK14
SCHEMBL4730324 0.85 MAPK14 (0.42) RAF1BRAFMAPK14

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