SCHEMBL12669643

SCHEMBL12669643

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

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.48
NR1I2 O75469 1/20 0.40
EGFR P00533 1/20 0.38
KCNH2 Q12809 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
SCHEMBL12669225 0.93 BRAF (0.41) BRAFNR1I2EGFRKCNH2
SCHEMBL1868475 0.92 BRAF (0.51) BRAFNR1I2EGFR
SCHEMBL1872453 0.89 BRAF (0.54) BRAFKCNH2
SCHEMBL12669105 0.89 BRAF (0.54) BRAFKCNH2
SCHEMBL1876653 0.89 BRAF (0.54) BRAFEGFR
SCHEMBL1870084 0.88 BRAF (0.44) BRAFNR1I2EGFR
SCHEMBL12669242 0.88 BRAF (0.47) BRAFNR1I2EGFR
SCHEMBL12670282 0.86 BRAF (0.49) BRAFNR1I2
SCHEMBL1873864 0.83 NR1I2 (0.39) BRAFNR1I2EGFRKCNH2
SCHEMBL12670302 0.83 NR1I2 (0.53) BRAFNR1I2EGFRKCNH2

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