SCHEMBL2214745

SCHEMBL2214745

Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(OC(=O)NCc2ccc(Cl)c(Cl)c2)c1N

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.44
MAPK11 Q15759 3/20 0.44
SSTR5 P35346 1/20 0.41
LMNA P02545 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL2217376 0.90 MAPK14 (0.45) MAPK14MAPK11LMNASMN1; SMN2ROCK2
SCHEMBL2215688 0.89 MAPK14 (0.48) MAPK14MAPK11LMNASMN1; SMN2
SCHEMBL2214347 0.89 MAPK14 (0.52) MAPK14MAPK11ROCK2ROCK1
SCHEMBL1384750 0.87 MAPK14 (0.59) MAPK14MAPK11LMNAROCK2ROCK1
SCHEMBL2218419 0.87 EPHX2 (0.43) MAPK14MAPK11ROCK2ROCK1
SCHEMBL2214420 0.86 MAPK14 (0.56) MAPK14MAPK11ROCK2ROCK1
SCHEMBL2216010 0.85 PSEN1 (0.43) MAPK14MAPK11ROCK2ROCK1
SCHEMBL2213705 0.85 MAPK14 (0.52) MAPK14MAPK11
SCHEMBL2216554 0.85 MAPK14 (0.47) MAPK14MAPK11LMNA
SCHEMBL2215757 0.83 MAPK14 (0.46) MAPK14MAPK11SSTR5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed