SCHEMBL1935735

SCHEMBL1935735

COc1c(NC(=O)c2ccc(C)c(Oc3ccnc(CN4CCN(OC(=O)OC(C)(C)C)CC4)c3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.47
SRC P12931 3/20 0.44
SYK P43405 3/20 0.44
MAPK14 Q16539 3/20 0.44
GSK3A P49840 2/20 0.44

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
SCHEMBL1935715 0.98 BRAF (0.45) BRAFSRCSYKMAPK14GSK3A
SCHEMBL1936807 0.93 GSK3A (0.44) BRAFSRCSYKMAPK14GSK3A
SCHEMBL2671184 0.91 BRAF (0.48) BRAFSRCSYKMAPK14GSK3A
SCHEMBL1934759 0.91 GSK3A (0.44) BRAFSRCSYKMAPK14GSK3A
SCHEMBL1935905 0.90 BRAF (0.53) BRAFSRCSYKMAPK14GSK3A
SCHEMBL1936009 0.90 BRAF (0.53) BRAFSRCSYKMAPK14GSK3A
SCHEMBL15062908 0.90 BRAF (0.49) BRAF
SCHEMBL15062885 0.90 MAPK14 (0.39) BRAFSRCSYKMAPK14GSK3A
SCHEMBL2670799 0.89 BRAF (0.46) BRAFSRCSYKMAPK14GSK3A
SCHEMBL1936546 0.88 BRAF (0.48) BRAFSRCSYKMAPK14GSK3A

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 3 patents. 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
EP-2331506-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2011-06-15 EP disclosed
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed