SCHEMBL15062880

SCHEMBL15062880

COc1c(NC(=O)c2ccc(C)c(Oc3ccnc(N4CCCCC4)n3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.64
MAPK14 Q16539 1/20 0.58

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
SCHEMBL1936158 0.93 MAPK14 (0.57) BRAFMAPK14
SCHEMBL2671278 0.90 MAPK14 (0.55) BRAFMAPK14
SCHEMBL1935821 0.90 MAPK14 (0.55) BRAFMAPK14
SCHEMBL1935710 0.89 MAPK14 (0.54) BRAFMAPK14
Trifluoroacetic Acid SCHEMBL2671765 0.89 MAPK14 (0.54) BRAFMAPK14
SCHEMBL2671718 0.88 BRAF (0.55) BRAFMAPK14
SCHEMBL1935847 0.88 BRAF (0.55) BRAFMAPK14
SCHEMBL1934469 0.88 BRAF (0.55) BRAFMAPK14
SCHEMBL1936389 0.86 MAPK14 (0.59) BRAFMAPK14
SCHEMBL1934475 0.86 BRAF (0.56) 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 claimed