SCHEMBL1936388

SCHEMBL1936388

COc1c(NC(=O)c2ccc(C)c(Oc3ccnc(CC4CCN(OC(=O)OC(C)(C)C)CC4)c3)c2)cc(C(C)(C)C)cc1NS(=O)(=O)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.48
SRC P12931 3/20 0.41
SYK P43405 3/20 0.41
GSK3A P49840 3/20 0.41
MAPK14 Q16539 2/20 0.41

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
SCHEMBL1936009 0.95 BRAF (0.53) BRAFSRCSYKGSK3AMAPK14
SCHEMBL1936487 0.93 BRAF (0.51) BRAFSRCSYKGSK3AMAPK14
SCHEMBL1935513 0.93 BRAF (0.48) BRAFSRCSYKGSK3AMAPK14
SCHEMBL2671162 0.92 BRAF (0.51) BRAFSRCSYKGSK3AMAPK14
SCHEMBL15063098 0.91 BRAF (0.47) BRAFSRCSYKGSK3AMAPK14
SCHEMBL1934869 0.91 BRAF (0.46) BRAFSRCSYKGSK3AMAPK14
SCHEMBL1934723 0.90 BRAF (0.48) BRAFSRCSYKGSK3AMAPK14
SCHEMBL1935974 0.90 SRC (0.45) BRAFSRCSYKGSK3AMAPK14
SCHEMBL15062934 0.90 BRAF (0.43) BRAFSRCSYKGSK3AMAPK14
SCHEMBL1934798 0.90 BRAF (0.45) BRAFSRCSYKGSK3AMAPK14

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