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SCHEMBL303473

SCHEMBL303473

COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(C(O)c5ccccc5)n4C)nn3)c2)cc(C2(C)CC2)cc1NS(C)(=O)=O.COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(N5CCN(Cc6ccccc6)CC5)n4C)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 18/20 0.41
▸ ABL1 P00519 2/20 0.38
▸ BCR P11274 2/20 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
SCHEMBL4032018 0.91 BRAF (0.48) BRAFABL1BCR
SCHEMBL4035279 0.88 GPR142 (0.38) BRAFABL1BCR
SCHEMBL4032021 0.87 BRAF (0.44) BRAF
SCHEMBL303872 0.83 BRAF (0.43) BRAF
SCHEMBL4034539 0.81 BRAF (0.48) BRAF
SCHEMBL4036031 0.81 GPR142 (0.39) BRAFABL1BCR
SCHEMBL303536 0.80 BRAF (0.55) BRAF
SCHEMBL4034719 0.80 BRAF (0.48) BRAF
SCHEMBL304738 0.80 BRAF (0.41) BRAF
SCHEMBL4032212 0.80 GPR142 (0.41) BRAFABL1BCR

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