SCHEMBL5267960

SCHEMBL5267960

Cc1ccc(C(=O)NC[C@H](C)O)cc1-n1c(C)nc(=O)c(Cl)c1OCc1ccc(F)cc1F

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.58
MAPK11 Q15759 4/20 0.52
ROCK2 O75116 1/20 0.48
MAPK12 P53778 1/20 0.48
STRADA Q7RTN6 1/20 0.48
ACSS2 Q9NR19 1/20 0.41

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
SCHEMBL5266915 1.00 MAPK14 (0.58) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5264928 0.91 MAPK14 (0.56) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5268311 0.89 MAPK14 (0.66) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3521990 0.88 MAPK14 (0.67) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3522198 0.88 MAPK14 (0.67) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5268315 0.83 MAPK14 (0.62) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3519080 0.83 MAPK14 (0.60) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5266107 0.83 MAPK14 (0.60) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3523187 0.83 MAPK14 (0.60) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3524254 0.80 MAPK14 (0.87) MAPK14MAPK11ROCK2MAPK12STRADA

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-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 WO disclosed