SCHEMBL5176153

SCHEMBL5176153

COc1c(C#N)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 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
BRAF P15056 8/20 0.36
LMNA P02545 1/20 0.35
ABL1 P00519 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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 0.90 MAPK14 (0.42) MAPK14BRAF
SCHEMBL4463798 0.89 BRAF (0.40) BRAFLMNA
SCHEMBL5176158 0.89 MAPK14 (0.39) MAPK14BRAFLMNA
SCHEMBL5177850 0.88 BRAF (0.38) BRAFLMNAABL1
SCHEMBL13935932 0.86 BRAF (0.51) BRAF
SCHEMBL1378709 0.86 MAPK14 (0.39) MAPK14BRAF
Pivalamide SCHEMBL5176151 0.86 MAPK14 (0.40) MAPK14BRAF
SCHEMBL5178018 0.84 MAPK14 (0.41) MAPK14BRAFABL1
SCHEMBL13935926 0.81 LMNA (0.37) MAPK14BRAFLMNAABL1
SCHEMBL5179141 0.81 BRAF (0.47) 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 4 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
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