SCHEMBL1934798

SCHEMBL1934798

COc1c(NC(=O)c2ccc(C)c(Oc3ccnc(CC4CCN(OC(=O)OC(C)(C)C)CC4)c3)c2)cc(C(C)(C)C)cc1NC(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.45
GSK3A P49840 4/20 0.37
SRC P12931 3/20 0.37
SYK P43405 2/20 0.37
MAPK14 Q16539 2/20 0.37

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
SCHEMBL1936342 0.93 BRAF (0.43) BRAFGSK3ASRCSYKMAPK14
SCHEMBL1935513 0.93 BRAF (0.48) BRAFGSK3ASRCSYKMAPK14
SCHEMBL15062934 0.92 BRAF (0.43) BRAFGSK3ASRCSYKMAPK14
SCHEMBL1934788 0.92 BRAF (0.42) BRAFGSK3ASRCSYKMAPK14
SCHEMBL1936142 0.92 BRAF (0.42) BRAFGSK3ASRCSYKMAPK14
SCHEMBL1936009 0.91 BRAF (0.53) BRAFGSK3ASRCSYKMAPK14
SCHEMBL2671468 0.91 BRAF (0.47) BRAFGSK3ASRCSYKMAPK14
SCHEMBL15063098 0.91 BRAF (0.47) BRAFGSK3ASRCSYKMAPK14
SCHEMBL1934596 0.91 BRAF (0.41) BRAFGSK3ASRCSYKMAPK14
SCHEMBL1936778 0.91 BRAF (0.41) BRAFGSK3ASRCSYKMAPK14

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