SCHEMBL1934591

SCHEMBL1934591

COc1c(NC(=O)c2ccc(Cl)c(Oc3ccnc(N4CCN(OC(=O)OC(C)(C)C)CC4)n3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.53
BRAF P15056 15/20 0.48
GSK3A P49840 4/20 0.42
SRC P12931 2/20 0.42
SYK P43405 2/20 0.42

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
SCHEMBL1936602 0.94 MAPK14 (0.56) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1935710 0.93 MAPK14 (0.54) MAPK14BRAF
SCHEMBL15063056 0.92 MAPK14 (0.53) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1935902 0.92 MAPK14 (0.53) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1934414 0.92 MAPK14 (0.53) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1936720 0.91 MAPK14 (0.52) MAPK14BRAFGSK3A
SCHEMBL2671045 0.91 MAPK14 (0.54) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1936756 0.89 BRAF (0.45) MAPK14BRAFGSK3ASRCSYK
SCHEMBL1936423 0.88 MAPK14 (0.56) MAPK14BRAFGSK3ASRCSYK
SCHEMBL15062938 0.88 GSK3A (0.47) MAPK14BRAFGSK3ASRCSYK

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