SCHEMBL1870084

SCHEMBL1870084

CCCS(=O)(=O)Nc1cccc(-c2nc(C3CCOCC3)sc2-c2ccnc(Cl)n2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.44
NR1I2 O75469 4/20 0.40
EGFR P00533 3/20 0.40
ADRA1A P35348 1/20 0.38

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
SCHEMBL12670282 0.93 BRAF (0.49) BRAFNR1I2
SCHEMBL1884234 0.92 BRAF (0.48) BRAFNR1I2EGFR
SCHEMBL1890075 0.90 BRAF (0.46) BRAFNR1I2
SCHEMBL1870091 0.90 BRAF (0.40) BRAFNR1I2EGFR
SCHEMBL12669243 0.90 EGFR (0.45) BRAFNR1I2EGFR
SCHEMBL12669242 0.89 BRAF (0.47) BRAFNR1I2EGFR
SCHEMBL1876653 0.89 BRAF (0.54) BRAFEGFR
SCHEMBL12669105 0.88 BRAF (0.54) BRAF
SCHEMBL12669643 0.88 BRAF (0.48) BRAFNR1I2EGFR
SCHEMBL1872453 0.88 BRAF (0.54) BRAF

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