SCHEMBL13625136

SCHEMBL13625136

CSCCCNc1nccc(-c2sc(C(C)C)nc2-c2ccc(F)c(NS(=O)(=O)C3C=NN(C)C3)c2)n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.58
KCNH2 Q12809 1/20 0.49
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
TGFBR1 P36897 1/20 0.45
BTK Q06187 1/20 0.45
ACVR2B Q13705 1/20 0.45
ERBB4 Q15303 1/20 0.45
NCOA1 Q15788 1/20 0.45
EGFR P00533 1/20 0.37

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
SCHEMBL13625304 0.85 BRAF (0.53) BRAFKCNH2LCKLYNTGFBR1
SCHEMBL2193958 0.84 BRAF (0.62) BRAFKCNH2LCKLYNTGFBR1
SCHEMBL12350013 0.83 BRAF (0.60) BRAFKCNH2LCKLYNTGFBR1
SCHEMBL13625132 0.80 BRAF (0.67) BRAF
SCHEMBL12507990 0.78 BRAF (0.50) BRAFKCNH2LCKLYNTGFBR1
SCHEMBL2193377 0.78 BRAF (0.77) BRAFKCNH2LCKLYNTGFBR1
SCHEMBL2193260 0.77 BRAF (0.70) BRAFKCNH2LCKLYNTGFBR1
SCHEMBL12350007 0.76 BRAF (0.69) BRAFKCNH2LCKLYNTGFBR1
SCHEMBL13625517 0.75 BRAF (0.71) BRAFKCNH2LCKLYNTGFBR1
SCHEMBL12350556 0.75 BRAF (0.73) BRAFKCNH2LCKLYNTGFBR1

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