SCHEMBL1865835

SCHEMBL1865835

CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccc(NS(=O)(=O)CCC(F)(F)F)c3Cl)c(-c3ccnc(Cl)n3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.43
BRAF P15056 8/20 0.41
STS P08842 2/20 0.35
KCNH2 Q12809 1/20 0.35
CCNT1 O60563 1/20 0.35
TGFBR1 P36897 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
EGFR P00533 1/20 0.34
ERN1 O75460 1/20 0.34

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
SCHEMBL1868866 0.94 BRAF (0.47) NR1I2BRAFTGFBR1JAK2ERN1
SCHEMBL1866857 0.93 BRAF (0.44) NR1I2BRAFSTS
SCHEMBL1865837 0.90 NR1I2 (0.41) NR1I2BRAFKCNH2EGFRERN1
SCHEMBL1872245 0.88 KCNH2 (0.44) NR1I2BRAFKCNH2EGFR
SCHEMBL31111523 0.87 NR1I2 (0.51) NR1I2BRAFTGFBR1JAK2ERN1
SCHEMBL1872193 0.87 NR1I2 (0.51) NR1I2BRAFTGFBR1JAK2ERN1
SCHEMBL1870510 0.87 BRAF (0.47) NR1I2BRAFTGFBR1JAK2ERN1
SCHEMBL1868868 0.85 BRAF (0.44) NR1I2BRAFTGFBR1JAK2ERN1
SCHEMBL12669056 0.85 BRAF (0.43) NR1I2BRAFKCNH2
SCHEMBL31111990 0.84 NR1I2 (0.48) NR1I2BRAFSTSTGFBR1JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2498608-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GlaxoSmithKline LLC (US) 2012-09-19 EP disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed
WO-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed