SCHEMBL1935974

SCHEMBL1935974

COc1c(CS(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Oc2ccnc(CC3CCN(OC(=O)OC(C)(C)C)CC3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.45
SYK P43405 5/20 0.45
MAPK14 Q16539 4/20 0.45
BRAF P15056 13/20 0.44
GSK3A P49840 5/20 0.40

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
SCHEMBL1934788 0.93 BRAF (0.42) SRCSYKMAPK14BRAFGSK3A
SCHEMBL2670754 0.92 BRAF (0.46) SRCSYKMAPK14BRAFGSK3A
SCHEMBL1936009 0.92 BRAF (0.53) SRCSYKMAPK14BRAFGSK3A
SCHEMBL1934596 0.91 BRAF (0.41) SRCSYKMAPK14BRAFGSK3A
SCHEMBL1936778 0.91 BRAF (0.41) SRCSYKMAPK14BRAFGSK3A
SCHEMBL1936142 0.91 BRAF (0.42) SRCSYKMAPK14BRAFGSK3A
SCHEMBL1935947 0.90 BRAF (0.41) SRCSYKMAPK14BRAFGSK3A
SCHEMBL1936388 0.90 BRAF (0.48) SRCSYKMAPK14BRAFGSK3A
SCHEMBL1936023 0.90 BRAF (0.41) SRCSYKMAPK14BRAFGSK3A
SCHEMBL1934798 0.90 BRAF (0.45) SRCSYKMAPK14BRAFGSK3A

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