SCHEMBL3434765

SCHEMBL3434765

CN(C)c1nc(-c2cccc(C3(F)C=CC=C(F)C3C(N)=O)c2)c(-c2ccnc(Cl)n2)s1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 1/20 0.32
BRAF P15056 3/20 0.32

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
SCHEMBL5223915 0.76 MAPK14 (0.34)
SCHEMBL3434769 0.74 BRAF (0.35) ALDH1A2BRAF
SCHEMBL3421110 0.73 MAPK14 (0.34) BRAF
SCHEMBL1641680 0.72 BRAF (0.49) ALDH1A2BRAF
SCHEMBL2193407 0.67 BRAF (0.61) BRAF
SCHEMBL3434366 0.67
SCHEMBL9989084 0.65 BRAF (0.55) BRAF
SCHEMBL1640122 0.65 TGFBR1 (0.41) BRAF
SCHEMBL2254385 0.64 CYP1A1 (0.46)
SCHEMBL3421116 0.64 MAPK14 (0.37) BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed