SCHEMBL5266339

SCHEMBL5266339

Cc1ccc(C(=O)NCCO)cc1-n1c(C)nc(OCc2ccc(F)cc2COC(N)=O)c(Br)c1=O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.61
MAPK11 Q15759 4/20 0.55
ROCK2 O75116 1/20 0.48
MAPK12 P53778 1/20 0.48
STRADA Q7RTN6 1/20 0.48

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
SCHEMBL5264738 0.93 MAPK14 (0.53) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3518147 0.90 MAPK14 (0.65) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3522858 0.89 MAPK14 (0.76) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5435303 0.88 MAPK14 (0.60) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL5441496 0.86 MAPK14 (0.61) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3525265 0.83 MAPK14 (0.56) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3526016 0.82 MAPK14 (0.67) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3522512 0.82 MAPK14 (0.65) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3523052 0.82 MAPK14 (0.74) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3520948 0.82 MAPK14 (0.59) 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