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SCHEMBL1936665

SCHEMBL1936665

COc1c(NC(=O)c2ccc(C)c(Oc3ccnc(CC4CCCN(OC(=O)OC(C)(C)C)CC4)n3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 19/20 0.51
▸ SRC P12931 1/20 0.46
▸ SYK P43405 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46

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
SCHEMBL1936946 0.98 BRAF (0.53) BRAFSRCSYKMAPK14
SCHEMBL1935625 0.91 BRAF (0.48) BRAFSRCSYKMAPK14
SCHEMBL1936781 0.91 BRAF (0.45) BRAFSRCSYKMAPK14
SCHEMBL2671598 0.91 BRAF (0.53) BRAFSRCSYKMAPK14
SCHEMBL1935499 0.90 BRAF (0.61) BRAFSRCSYKMAPK14
SCHEMBL2671568 0.89 BRAF (0.55) BRAFSRCSYKMAPK14
SCHEMBL1935832 0.89 BRAF (0.54) BRAF
SCHEMBL1936487 0.89 BRAF (0.51) BRAFSRCSYKMAPK14
SCHEMBL1934933 0.88 BRAF (0.63) BRAFSRCSYKMAPK14
SCHEMBL15062831 0.88 BRAF (0.49) BRAF

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