SCHEMBL1935542

SCHEMBL1935542

COc1c(NC(=O)c2ccc(Cl)c(Oc3cc(CN4CCCN(OC(=O)OC(C)(C)C)CC4)ncn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 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
SCHEMBL1936684 0.98 BRAF (0.45) BRAF
SCHEMBL15062908 0.91 BRAF (0.49) BRAF
SCHEMBL1934759 0.91 GSK3A (0.44) BRAF
SCHEMBL2671383 0.90 BRAF (0.44) BRAF
SCHEMBL1936597 0.90 BRAF (0.51) BRAF
SCHEMBL2671180 0.89 BRAF (0.46) BRAF
SCHEMBL1935991 0.88 BRAF (0.51) BRAF
SCHEMBL1936807 0.88 GSK3A (0.44) BRAF
SCHEMBL1937287 0.86 BRAF (0.47) BRAF
SCHEMBL1934800 0.86 BRAF (0.48) 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