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Sugi Predict / Compounds / Pivalamide

Pivalamide

Pivalamide

SCHEMBL5178016

CC(C)(C)C(N)=O.COc1c(C#N)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)O)cn2)c1

nearest known ligand 0.41

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.41
▸ XDH P47989 1/20 0.38
▸ ABL1 P00519 2/20 0.37
▸ BCR P11274 2/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ BRAF P15056 2/20 0.35

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
SCHEMBL4486661 0.96 MAPK14 (0.43) MAPK14XDHABL1BCRBRAF
SCHEMBL5178024 0.93 XDH (0.41) MAPK14XDHABL1BCRMAPK11
Pivalamide SCHEMBL5179479 0.89 ABL1 (0.39) MAPK14ABL1BCRMAPK11BRAF
SCHEMBL5178018 0.86 MAPK14 (0.41) MAPK14XDHABL1BCRMAPK11
SCHEMBL4491863 0.85 ABL1 (0.41) MAPK14ABL1BCRMAPK11BRAF
SCHEMBL4478482 0.84 ABL1 (0.41) MAPK14ABL1BCRMAPK11BRAF
Pivalamide SCHEMBL5176151 0.84 MAPK14 (0.40) MAPK14BRAF
SCHEMBL4467266 0.83 MAPK14 (0.41) MAPK14BRAF
SCHEMBL5179484 0.82 ABL1 (0.38) MAPK14ABL1BCRMAPK11BRAF
SCHEMBL4477561 0.82 BRAF (0.52) MAPK14BRAF

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