SCHEMBL1936713

SCHEMBL1936713

COc1c(NC(=O)c2ccc(C)c(Oc3cc(NC4CCN(OC(=O)OC(C)(C)C)CC4)ncn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.49
LYN P07948 1/20 0.47
MAPK9 P45984 1/20 0.47

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
SCHEMBL1935040 0.96 BRAF (0.49) BRAFLYNMAPK9
SCHEMBL1936805 0.93 LYN (0.47) BRAFLYNMAPK9
SCHEMBL2671441 0.91 BRAF (0.51) BRAFLYNMAPK9
SCHEMBL1935509 0.90 BRAF (0.58) BRAFLYNMAPK9
SCHEMBL2671039 0.89 BRAF (0.49) BRAF
SCHEMBL1935954 0.88 GSK3A (0.47) BRAFLYNMAPK9
SCHEMBL1935920 0.88 BRAF (0.51) BRAF
SCHEMBL15062939 0.87 BRAF (0.48) BRAF
SCHEMBL15062961 0.87 BRAF (0.54) BRAF
SCHEMBL1936432 0.87 BRAF (0.57) BRAFLYNMAPK9

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