Sugi Predict

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SCHEMBL304290

SCHEMBL304290

COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C(C)(C)C)c4C)nn3)c2)cc(C2(C)CC2)cc1NS(C)(=O)=O.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C(C)C)c4C)nn3)c2)cc(C2(C)CC2)cc1NS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 20/20 0.38

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
SCHEMBL4031017 0.95 BRAF (0.38) BRAF
SCHEMBL4032264 0.95 BRAF (0.39) BRAF
SCHEMBL4036624 0.87 BRAF (0.47) BRAF
SCHEMBL302091 0.85 BRAF (0.47) BRAF
SCHEMBL303585 0.84 CDK9 (0.36) BRAF
SCHEMBL4031886 0.81 GPR142 (0.45) BRAF
SCHEMBL4031643 0.81 BRAF (0.39) BRAF
SCHEMBL4031614 0.81 BRAF (0.46) BRAF
SCHEMBL302425 0.80 BRAF (0.37) BRAF
SCHEMBL13848724 0.80 BRAF (0.40) 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