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SCHEMBL304168

SCHEMBL304168

CCc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)ccc3C)nn2)n1CC.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(N(C)C)n4C)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.46

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
SCHEMBL4033846 0.95 BRAF (0.49) BRAF
SCHEMBL4034272 0.94 BRAF (0.48) BRAF
SCHEMBL4033874 0.89 BRAF (0.47) BRAF
SCHEMBL4034037 0.87 BRAF (0.46) BRAF
SCHEMBL301740 0.87 BRAF (0.48) BRAF
SCHEMBL302523 0.87 BRAF (0.48) BRAF
SCHEMBL302431 0.86 BRAF (0.47) BRAF
SCHEMBL13894890 0.86 BRAF (0.45) BRAF
SCHEMBL303570 0.86 BRAF (0.48) BRAF
SCHEMBL302363 0.86 BRAF (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4850824-B2 — — 2012-01-11 — — JP claimed
EP-1725544-A1 3-[4-HETEROCYCLYL-1,2,3-TRIAZOL-1-YL]-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-11-29 — — EP claimed
WO-2005090333-A1 3-‘4-HETEROCYCLYL -1,2,3,-TRIAZOL-1-YL!-N-ARYL-BENZAMIDES AS INHIBITORS OF THE CYTOKINES PRODUCTION FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-29 — — WO claimed