Sugi Predict

Sugi Predict / Compounds / SCHEMBL1870091

SCHEMBL1870091

SCHEMBL1870091

O=S(=O)(CCC(F)(F)F)Nc1cccc(-c2nc(C3CCOCC3)sc2-c2ccnc(Cl)n2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 11/20 0.40
▸ NR1I2 O75469 6/20 0.40
▸ EGFR P00533 3/20 0.37
▸ ERN1 O75460 1/20 0.35

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
SCHEMBL12669783 0.93 BRAF (0.46) BRAFNR1I2ERN1
SCHEMBL12668211 0.93 BRAF (0.47) BRAFNR1I2EGFRERN1
SCHEMBL12669056 0.92 BRAF (0.43) BRAFNR1I2
SCHEMBL1870084 0.90 BRAF (0.44) BRAFNR1I2EGFR
SCHEMBL1872245 0.89 KCNH2 (0.44) BRAFNR1I2EGFR
SCHEMBL12669225 0.88 BRAF (0.41) BRAFNR1I2EGFRERN1
SCHEMBL12668210 0.88 BRAF (0.46) BRAFNR1I2EGFR
SCHEMBL1889750 0.85 RIPK2 (0.39) BRAFNR1I2EGFRERN1
SCHEMBL12669238 0.85 BRAF (0.55) BRAFNR1I2ERN1
SCHEMBL12668223 0.85 BRAF (0.49) BRAFNR1I2ERN1

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