SCHEMBL16162154

SCHEMBL16162154

COc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(=O)Oc3cnc4[nH]ccc4c3)c2F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K20 Q9NYL2 1/20 0.43
BRAF P15056 18/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL16162083 0.87 BRAF (0.43) MAP3K20BRAFCYP3A4CYP2C9
SCHEMBL299213 0.87 BRAF (0.46) MAP3K20BRAF
SCHEMBL16162093 0.86 BRAF (0.45) MAP3K20BRAFCYP2C9
SCHEMBL16161968 0.86 BRAF (0.43) MAP3K20BRAF
SCHEMBL16162115 0.86 MAP3K20 (0.50) MAP3K20BRAFCYP3A4CYP2C9
SCHEMBL16162153 0.85 BRAF (0.44) MAP3K20BRAFCYP3A4CYP2C9
SCHEMBL16162114 0.85 BRAF (0.47) MAP3K20BRAFCYP3A4CYP2C9
SCHEMBL16162147 0.85 BRAF (0.41) MAP3K20BRAF
SCHEMBL16162087 0.83 MAP3K20 (0.47) MAP3K20BRAFCYP3A4
SCHEMBL16162149 0.83 MAP3K20 (0.44) MAP3K20BRAF

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