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Sugi Predict / Compounds / SCHEMBL5778538

SCHEMBL5778538

SCHEMBL5778538

COc1c(NC(=O)c2ccc(C)c(-n3cc(OC(=O)NCc4cccc(C)c4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 17/20 0.44
▸ 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
SCHEMBL5777215 0.94 BRAF (0.45) BRAFMAPK14
SCHEMBL5776543 0.92 BRAF (0.43) BRAFMAPK14
SCHEMBL5813910 0.91 BRAF (0.45) BRAFMAPK14
SCHEMBL4507183 0.90 DDT (0.50) BRAFMAPK14
SCHEMBL5778882 0.89 BRAF (0.46) BRAFMAPK14
SCHEMBL5779482 0.88 BRAF (0.47) BRAF
SCHEMBL5778021 0.87 BRAF (0.49) BRAFMAPK14
SCHEMBL5779833 0.87 MAPK14 (0.44) BRAFMAPK14
SCHEMBL5812757 0.87 MAPK14 (0.44) BRAFMAPK14
SCHEMBL5779620 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 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