SCHEMBL13458809

SCHEMBL13458809

COc1c(NC(=O)c2ccc(C)c(Oc3cc(NC4CCNCC4)ncn3)c2)cc(C(C)(C)C)c(C)c1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.45
S1PR1 P21453 1/20 0.42
LYN P07948 1/20 0.41
MAPK9 P45984 1/20 0.41
HCK P08631 3/20 0.41
NR2C2 P49116 3/20 0.41
CDK9 P50750 1/20 0.38

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
SCHEMBL1936432 0.89 BRAF (0.57) BRAFLYNMAPK9
Trifluoroacetic Acid SCHEMBL2670732 0.85 BRAF (0.54) BRAFLYNMAPK9
SCHEMBL1935617 0.85 BRAF (0.58) BRAFLYNMAPK9
SCHEMBL1935393 0.81 BRAF (0.52) BRAFS1PR1LYNMAPK9
SCHEMBL1935509 0.80 BRAF (0.58) BRAFLYNMAPK9
SCHEMBL2671441 0.78 BRAF (0.51) BRAFLYNMAPK9
SCHEMBL1936713 0.78 BRAF (0.49) BRAFLYNMAPK9
SCHEMBL2671039 0.76 BRAF (0.49) BRAF
SCHEMBL1936594 0.76 BRAF (0.55) BRAFLYNMAPK9
SCHEMBL1935989 0.76 BRAF (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010026095-A1 NOVEL BENZAMIDES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed