SCHEMBL4463798

SCHEMBL4463798

COc1c(NC(C)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cnc(C(=O)NCC(C)(C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.40
LMNA P02545 1/20 0.37

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
SCHEMBL5177850 0.91 BRAF (0.38) BRAFLMNA
SCHEMBL13935932 0.91 BRAF (0.51) BRAF
SCHEMBL4469722 0.89 BRAF (0.42) BRAFLMNA
SCHEMBL5176153 0.89 MAPK14 (0.40) BRAFLMNA
SCHEMBL5177405 0.88 BRAF (0.39) BRAFLMNA
Pivalamide SCHEMBL5177397 0.85 BRAF (0.40) BRAF
SCHEMBL5179141 0.85 BRAF (0.47) BRAF
SCHEMBL13935926 0.84 LMNA (0.37) BRAFLMNA
SCHEMBL4491973 0.83 ABL1 (0.39) BRAF
SCHEMBL13935944 0.83 BRAF (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
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