SCHEMBL1936671

SCHEMBL1936671

COc1c(NC(=O)c2cc(C)cc(Oc3ccnc(CN4CCN(OC(=O)OC(C)(C)C)CC4)n3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.45
BRAF P15056 14/20 0.44
MAPK14 Q16539 4/20 0.43
SRC P12931 3/20 0.43
SYK P43405 3/20 0.43

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
SCHEMBL2671471 0.91 GSK3A (0.46) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936326 0.90 GSK3A (0.54) GSK3ABRAFMAPK14SRCSYK
SCHEMBL15062831 0.89 BRAF (0.49) BRAF
SCHEMBL1935998 0.88 GSK3A (0.49) GSK3ABRAFMAPK14SRCSYK
SCHEMBL15062875 0.88 GSK3A (0.42) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936756 0.87 BRAF (0.45) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936877 0.80 MAPK14 (0.49) GSK3ABRAFMAPK14SRCSYK
SCHEMBL2671344 0.80 GSK3A (0.43) GSK3ABRAFMAPK14SRCSYK
SCHEMBL2670744 0.80 BRAF (0.50) BRAF
SCHEMBL1935735 0.79 BRAF (0.47) GSK3ABRAFMAPK14SRCSYK

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