SCHEMBL13625304

SCHEMBL13625304

CC(C)c1nc(-c2ccc(F)c(NS(=O)(=O)C3C=NN(C)C3)c2)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.53
LCK P06239 1/20 0.46
LYN P07948 1/20 0.46
TGFBR1 P36897 1/20 0.46
BTK Q06187 1/20 0.46
ACVR2B Q13705 1/20 0.46
ERBB4 Q15303 1/20 0.46
NCOA1 Q15788 1/20 0.46
KCNH2 Q12809 1/20 0.45
EGFR P00533 1/20 0.36

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
SCHEMBL2197684 0.86 BRAF (0.59) BRAFLCKLYNTGFBR1BTK
SCHEMBL13625136 0.85 BRAF (0.58) BRAFLCKLYNTGFBR1BTK
SCHEMBL13625184 0.81 BRAF (0.54) BRAFLCKLYNTGFBR1BTK
SCHEMBL12350014 0.80 BRAF (0.62) BRAFLCKLYNTGFBR1BTK
SCHEMBL2191357 0.80 BRAF (0.60) BRAFLCKLYNTGFBR1BTK
SCHEMBL2193272 0.79 BRAF (0.65) BRAFLCKLYNTGFBR1BTK
SCHEMBL1727977 0.79 BRAF (0.72) BRAFLCKLYNTGFBR1BTK
SCHEMBL2193527 0.79 BRAF (0.64) BRAFLCKLYNTGFBR1BTK
SCHEMBL9989012 0.79 BRAF (0.64) BRAFLCKLYNTGFBR1BTK
SCHEMBL2192679 0.78 BRAF (0.83) BRAFLCKLYNTGFBR1BTK

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