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SCHEMBL5790697

SCHEMBL5790697

COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(C5CCC5)n4C)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(C=O)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
SCHEMBL4032583 0.96 BRAF (0.49) BRAF
SCHEMBL3529616 0.93 BRAF (0.51) BRAF
SCHEMBL301969 0.93 BRAF (0.47) BRAF
SCHEMBL3531580 0.88 BRAF (0.45) BRAF
SCHEMBL3528974 0.88 BRAF (0.45) BRAF
SCHEMBL4031882 0.87 BRAF (0.49) BRAF
SCHEMBL4031620 0.86 BRAF (0.39) BRAF
SCHEMBL4031152 0.85 BRAF (0.43) BRAF
SCHEMBL4031213 0.85 BRAF (0.51) BRAF
SCHEMBL4034272 0.85 BRAF (0.48) 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-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 disclosed
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 disclosed