SCHEMBL16162147

SCHEMBL16162147

O=C(Nc1c(F)ccc(NS(=O)(=O)c2ccc(OC(F)F)cc2)c1F)Oc1cnc2[nH]ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
KIT P10721 1/20 0.40
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 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
SCHEMBL16162087 0.92 MAP3K20 (0.47) BRAFMAP3K20PIK3CDPIK3R1PIK3CA
SCHEMBL16162093 0.89 BRAF (0.45) BRAFMAP3K20PIK3CDPIK3R1PIK3CA
SCHEMBL16162153 0.88 BRAF (0.44) BRAFMAP3K20
SCHEMBL299384 0.88 BRAF (0.44) BRAFMAP3K20KIT
SCHEMBL16161968 0.87 BRAF (0.43) BRAFMAP3K20
SCHEMBL16162040 0.87 KIT (0.40) BRAFKITPIK3CA
SCHEMBL16162114 0.85 BRAF (0.47) BRAFMAP3K20
SCHEMBL16162115 0.85 MAP3K20 (0.50) BRAFMAP3K20PIK3CDPIK3R1PIK3CA
SCHEMBL16162154 0.85 MAP3K20 (0.43) BRAFMAP3K20
SCHEMBL16162149 0.84 MAP3K20 (0.44) BRAFMAP3K20

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
EP-2170830-B1 2-FLUORO-BENZENESULFONAMIDE COMPOUNDS AS Raf KINASE MODULATORS PLEXXIKON INC (US) 2014-10-15 EP claimed