SCHEMBL1866898

SCHEMBL1866898

CC1(c2nc(-c3cccc(N)c3Cl)c(-c3ccnc(Cl)n3)s2)CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.32
NR1I2 O75469 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL12669048 0.91 BRAF (0.35) NR1I2BRAF
SCHEMBL12230879 0.83 BRAF (0.34) NR1I2BRAF
SCHEMBL1873056 0.81 BRAF (0.32) NR1I2BRAF
SCHEMBL12669232 0.80 BRAF (0.40) NR1I2BRAF
SCHEMBL1875099 0.79 BRAF (0.38) NR1I2BRAF
SCHEMBL1867781 0.79 BRAF (0.32) NR1I2BRAF
SCHEMBL1873258 0.79 MEN1 (0.33)
SCHEMBL1126967 0.78 AR (0.43)
SCHEMBL12230874 0.78 BRAF (0.37) NR1I2BRAF
SCHEMBL26923145 0.78 BRAF (0.41) NR1I2BRAF

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