SCHEMBL12669232

SCHEMBL12669232

CCCS(=O)(=O)Nc1cccc(-c2nc(C3(C)CCOCC3)sc2-c2ccnc(Cl)n2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.40
NR1I2 O75469 1/20 0.34
ADRA1A P35348 1/20 0.33

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
SCHEMBL12669658 0.92 BRAF (0.43) BRAFNR1I2
SCHEMBL1869538 0.92 BRAF (0.43) BRAFNR1I2
SCHEMBL12669660 0.91 BRAF (0.38) BRAFNR1I2
SCHEMBL1873008 0.84 BRAF (0.42) BRAFNR1I2
SCHEMBL1870084 0.84 BRAF (0.44) BRAFNR1I2ADRA1A
SCHEMBL12669102 0.84 BRAF (0.42) BRAFNR1I2
SCHEMBL1868804 0.83 RIPK2 (0.41) BRAF
SCHEMBL12668215 0.83 BRAF (0.45) BRAFNR1I2
SCHEMBL12670298 0.83 BRAF (0.50) BRAFNR1I2
SCHEMBL12669770 0.83 BRAF (0.44) BRAFNR1I2

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-2011059610-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-05-19 WO disclosed