SCHEMBL5267142

SCHEMBL5267142

Cc1nc(OCc2ccc(F)cc2COC(N)=O)c(Cl)c(=O)n1-c1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.50
MAPK11 Q15759 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
GRM5 P41594 1/20 0.37

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
SCHEMBL5264919 0.90 MAPK14 (0.51) MAPK14
SCHEMBL3524524 0.88 MAPK14 (0.56) MAPK14MAPK11MAPK1MAPKAPK5
SCHEMBL5267652 0.88 MAPK14 (0.54) MAPK14MAPK1MAPKAPK5
SCHEMBL3522356 0.86 MAPK14 (0.51) MAPK14MAPK11MAPK1MAPKAPK5
SCHEMBL3522967 0.85 MAPK14 (0.67) MAPK14MAPK11
Trifluoroacetic Acid SCHEMBL3523297 0.85 MAPK14 (0.48) MAPK14MAPK11MAPK1MAPKAPK5
SCHEMBL31079728 0.83 MAPK14 (0.73) MAPK14
SCHEMBL5356051 0.83 MAPK14 (0.48) MAPK14MAPK11MAPK1MAPKAPK5
SCHEMBL5364747 0.81 MAPK14 (0.46) MAPK14MAPK11MAPK1MAPKAPK5
SCHEMBL3527409 0.81 MAPK14 (0.46) MAPK14MAPK11MAPK1MAPKAPK5

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