SCHEMBL5177016

SCHEMBL5177016

CN(C)CC(C)(C)CN.COc1c(NC(=O)c2ccc(C)c(-n3cc(C(=O)O)cn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.48
MAPK14 Q16539 1/20 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
SCHEMBL5177001 0.92 BRAF (0.48) BRAFMAPK14
SCHEMBL4477561 0.91 BRAF (0.52) BRAFMAPK14
SCHEMBL5177015 0.89 BRAF (0.49) BRAF
SCHEMBL5176650 0.88 BRAF (0.45) BRAFMAPK14
SCHEMBL5175779 0.87 BRAF (0.47) BRAF
SCHEMBL4471665 0.84 BRAF (0.50) BRAF
SCHEMBL4463328 0.84 BRAF (0.50) BRAFMAPK14
SCHEMBL5179484 0.84 ABL1 (0.38) BRAFMAPK14
Pivalamide SCHEMBL5175771 0.83 BRAF (0.47) BRAFMAPK14
SCHEMBL13935937 0.83 BRAF (0.49) 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 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