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Pivalamide

Pivalamide

SCHEMBL5177397

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

nearest known ligand 0.40

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 17/20 0.40
▸ ABL1 P00519 1/20 0.36
▸ NR1H4 Q96RI1 1/20 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
SCHEMBL4469722 0.96 BRAF (0.42) BRAFABL1NR1H4
SCHEMBL5177405 0.93 BRAF (0.39) BRAF
Pivalamide SCHEMBL5177844 0.92 BRAF (0.38) BRAFABL1NR1H4
Pivalamide SCHEMBL5176151 0.89 MAPK14 (0.40) BRAF
SCHEMBL4473791 0.88 BRAF (0.40) BRAFABL1NR1H4
SCHEMBL4479405 0.86 BRAF (0.54) BRAF
SCHEMBL4463798 0.85 BRAF (0.40) BRAF
SCHEMBL5177857 0.85 BRAF (0.38) BRAFABL1NR1H4
Pivalamide SCHEMBL5179139 0.85 BRAF (0.47) BRAF
SCHEMBL4476621 0.85 MAPK14 (0.42) 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