SCHEMBL15062965

SCHEMBL15062965

COc1c(NC(=O)c2ccc(C)c(Oc3ccnc(CC4CCN(OC(=O)OC(C)(C)C)CC4)c3)c2)cc(C(C)(C)C)cc1[S+](C)[O-]

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.41
GSK3A P49840 6/20 0.35
SRC P12931 5/20 0.35
MAPK14 Q16539 4/20 0.35
SYK P43405 3/20 0.35

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
SCHEMBL1936218 0.92 BRAF (0.40) BRAFGSK3ASRCMAPK14SYK
SCHEMBL2670981 0.91 BRAF (0.43) BRAFGSK3ASRCMAPK14SYK
SCHEMBL1936142 0.91 BRAF (0.42) BRAFGSK3ASRCMAPK14SYK
SCHEMBL1934788 0.90 BRAF (0.42) BRAFGSK3ASRCMAPK14SYK
SCHEMBL15062934 0.90 BRAF (0.43) BRAFGSK3ASRCMAPK14SYK
SCHEMBL1934798 0.90 BRAF (0.45) BRAFGSK3ASRCMAPK14SYK
SCHEMBL1935938 0.89 BRAF (0.43) BRAFGSK3ASRCMAPK14SYK
SCHEMBL1936009 0.89 BRAF (0.53) BRAFGSK3ASRCMAPK14SYK
SCHEMBL1936342 0.88 BRAF (0.43) BRAFGSK3ASRCMAPK14SYK
SCHEMBL1934596 0.88 BRAF (0.41) BRAFGSK3ASRCMAPK14SYK

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
EP-2331506-B1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2013-07-03 EP disclosed