SCHEMBL12669243

SCHEMBL12669243

CCCS(=O)(=O)Nc1cccc(-c2nc(C3CCN(C)CC3)sc2-c2ccnc(Cl)n2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.45
KCNH2 Q12809 1/20 0.44
BRAF P15056 6/20 0.44
NR1I2 O75469 2/20 0.44

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
SCHEMBL12669808 0.93 BRAF (0.51) EGFRKCNH2BRAFNR1I2
SCHEMBL1881629 0.92 BRAF (0.53) EGFRKCNH2BRAFNR1I2
SCHEMBL1872245 0.91 KCNH2 (0.44) EGFRKCNH2BRAFNR1I2
SCHEMBL1890075 0.90 BRAF (0.46) KCNH2BRAFNR1I2
SCHEMBL1870084 0.90 BRAF (0.44) EGFRBRAFNR1I2
SCHEMBL1866857 0.87 BRAF (0.44) BRAFNR1I2
SCHEMBL12669624 0.86 BRAF (0.40) EGFRBRAF
SCHEMBL9987017 0.86 BRAF (0.48) BRAFNR1I2
SCHEMBL14865885 0.86 BRAF (0.54) BRAFNR1I2
SCHEMBL1866858 0.86 BRAF (0.46) EGFRBRAFNR1I2

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