SCHEMBL5338798

SCHEMBL5338798

Cc1ccc(C(=O)NC2CCOCC2)cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.73
MAPK11 Q15759 4/20 0.73
GABRA5 P31644 1/20 0.45
ROCK2 O75116 1/20 0.45
MAPK12 P53778 1/20 0.45
STRADA Q7RTN6 1/20 0.45

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
SCHEMBL2849955 0.88 MAPK14 (0.62) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL2849958 0.88 MAPK14 (0.62) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL9906481 0.86 MAPK14 (0.68) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL9906462 0.86 MAPK14 (0.70) MAPK14MAPK11GABRA5ROCK2MAPK12
SCHEMBL9906464 0.86 MAPK14 (0.70) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL9906463 0.86 MAPK14 (0.70) MAPK14MAPK11GABRA5ROCK2MAPK12
SCHEMBL5320830 0.85 MAPK14 (0.69) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL2843659 0.85 MAPK14 (0.77) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL2851670 0.85 MAPK14 (0.68) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL3520417 0.85 MAPK14 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007081901-A2 PYRIMIDINONE DERIVATIVES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 WO disclosed