SCHEMBL1936086

SCHEMBL1936086

COC(=O)Oc1cc(Oc2cc(C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)ccc2Cl)ccn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 12/20 0.49
BRAF P15056 1/20 0.46
MAPK14 Q16539 13/20 0.45
SRC P12931 12/20 0.45
SYK P43405 12/20 0.45
LCK P06239 2/20 0.45
CXCL8 P10145 1/20 0.44

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
SCHEMBL1936737 0.92 BRAF (0.52) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936753 0.90 GSK3A (0.52) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1935911 0.89 BRAF (0.51) BRAFMAPK14
SCHEMBL2670925 0.88 GSK3A (0.53) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1935948 0.87 MAPK14 (0.47) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1935730 0.87 GSK3A (0.50) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936773 0.85 BRAF (0.51) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936356 0.83 MAPK14 (0.51) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936147 0.83 BRAF (0.54) GSK3ABRAFMAPK14SRCSYK
SCHEMBL1936143 0.82 BRAF (0.53) BRAFMAPK14

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