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Sugi Predict / Compounds / Pivalamide

Pivalamide

Pivalamide

SCHEMBL5176151

CC(C)(C)C(N)=O.COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cnc(C(=O)O)c2)c1

nearest known ligand 0.41

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.40
▸ BRAF P15056 2/20 0.36

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
SCHEMBL4476621 0.96 MAPK14 (0.42) MAPK14BRAF
SCHEMBL5176158 0.93 MAPK14 (0.39) MAPK14BRAF
Pivalamide SCHEMBL5177397 0.89 BRAF (0.40) BRAF
Pivalamide SCHEMBL5177844 0.89 BRAF (0.38) BRAF
SCHEMBL5176153 0.86 MAPK14 (0.40) MAPK14BRAF
SCHEMBL4473791 0.86 BRAF (0.40) BRAF
SCHEMBL4469722 0.85 BRAF (0.42) BRAF
Pivalamide SCHEMBL5178016 0.84 MAPK14 (0.41) MAPK14BRAF
SCHEMBL5177405 0.82 BRAF (0.39) BRAF
SCHEMBL5177857 0.82 BRAF (0.38) 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-1756065-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-02-28 — — EP disclosed
WO-2005115991-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-08 — — WO disclosed