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SCHEMBL15063012

SCHEMBL15063012

COc1c(NC(=O)c2ccc(C)c(Oc3ccnc(N(C)C4CCN(OC(=O)OC(C)(C)C)CC4)n3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 19/20 0.46
▸ MAPK14 Q16539 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
SCHEMBL15062998 0.96 BRAF (0.46) BRAFMAPK14
SCHEMBL2671262 0.91 BRAF (0.47) BRAFMAPK14
SCHEMBL1936928 0.91 BRAF (0.55) BRAFMAPK14
SCHEMBL2671257 0.89 BRAF (0.46) BRAFMAPK14
SCHEMBL1935920 0.89 BRAF (0.51) BRAF
SCHEMBL1935954 0.88 GSK3A (0.47) BRAFMAPK14
SCHEMBL1936150 0.88 BRAF (0.55) BRAFMAPK14
SCHEMBL1936946 0.88 BRAF (0.53) BRAFMAPK14
SCHEMBL1936911 0.87 BRAF (0.55) BRAF
SCHEMBL1935710 0.87 MAPK14 (0.54) 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 1 patent. 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