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SCHEMBL5776637

SCHEMBL5776637

COc1c(NC(=O)c2ccc(C)c(-n3nnc(OC(=O)NCC(C)(C)CN(C)C)c3N)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 17/20 0.45
▸ MAPK14 Q16539 3/20 0.42

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
SCHEMBL5776067 0.93 BRAF (0.47) BRAFMAPK14
SCHEMBL14602796 0.90 BRAF (0.47) BRAFMAPK14
SCHEMBL5778761 0.87 BRAF (0.51) BRAFMAPK14
SCHEMBL5778280 0.86 BRAF (0.46) BRAF
SCHEMBL5779121 0.85 MAPK14 (0.44) BRAFMAPK14
SCHEMBL5777490 0.85 BRAF (0.46) BRAFMAPK14
SCHEMBL5779513 0.83 BRAF (0.45) BRAFMAPK14
SCHEMBL13757148 0.82 BRAF (0.47) BRAF
SCHEMBL5796845 0.82 BRAF (0.48) BRAFMAPK14
SCHEMBL4493814 0.81 BRAF (0.51) BRAFMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567507-B1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-06-14 — — EP claimed