SCHEMBL13625131

SCHEMBL13625131

CC(C)c1nc(-c2cccc(NS(=O)(=O)C3CC=CO3)c2)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 20/20 0.53
EIF2AK3 Q9NZJ5 1/20 0.43
LCK P06239 1/20 0.39
LYN P07948 1/20 0.39
TGFBR1 P36897 1/20 0.39
BTK Q06187 1/20 0.39
ACVR2B Q13705 1/20 0.39
ERBB4 Q15303 1/20 0.39
NCOA1 Q15788 1/20 0.39

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
SCHEMBL2193746 0.87 BRAF (0.59) BRAFEIF2AK3
SCHEMBL13625184 0.86 BRAF (0.54) BRAFLCKLYNTGFBR1BTK
SCHEMBL13625528 0.85 BRAF (0.54) BRAFEIF2AK3
SCHEMBL15615377 0.85 BRAF (0.56) BRAFEIF2AK3LCKLYNTGFBR1
SCHEMBL2194851 0.81 BRAF (0.56) BRAFEIF2AK3LCKLYNTGFBR1
SCHEMBL9988665 0.81 BRAF (0.64) BRAFEIF2AK3
SCHEMBL2191547 0.80 BRAF (0.60) BRAFEIF2AK3LCKLYNTGFBR1
SCHEMBL2192785 0.79 BRAF (0.81) BRAFLCKLYNTGFBR1BTK
SCHEMBL1726925 0.79 BRAF (0.65) BRAFEIF2AK3
SCHEMBL1726308 0.78 BRAF (0.76) BRAFEIF2AK3

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-2009137391-A2 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-11-12 WO disclosed