SCHEMBL5178018

SCHEMBL5178018

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.41
ABL1 P00519 4/20 0.37
BCR P11274 4/20 0.37
MAPK11 Q15759 1/20 0.37
BRAF P15056 6/20 0.35
XDH P47989 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
SCHEMBL4486661 0.90 MAPK14 (0.43) MAPK14ABL1BCRBRAFXDH
SCHEMBL4491973 0.89 ABL1 (0.39) MAPK14ABL1BCRMAPK11BRAF
SCHEMBL5178024 0.89 XDH (0.41) MAPK14ABL1BCRMAPK11XDH
SCHEMBL13935897 0.88 MAPK14 (0.40) MAPK14ABL1BCRMAPK11BRAF
SCHEMBL1378709 0.87 MAPK14 (0.39) MAPK14BRAF
SCHEMBL13935937 0.86 BRAF (0.49) MAPK14BRAF
Pivalamide SCHEMBL5178016 0.86 MAPK14 (0.41) MAPK14ABL1BCRMAPK11BRAF
SCHEMBL5176153 0.84 MAPK14 (0.40) MAPK14ABL1BRAF
SCHEMBL1404662 0.84 MAPK14 (0.38) MAPK14BRAF
SCHEMBL5177283 0.81 MAPK14 (0.41) MAPK14ABL1BCRMAPK11BRAF

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