SCHEMBL5267286

SCHEMBL5267286

Cc1nc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cccc(C(=O)N2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.54
PARP1 P09874 2/20 0.42

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
Hydrochloric Acid SCHEMBL3526714 0.99 MAPK14 (0.54) MAPK14PARP1
SCHEMBL3522736 0.93 MAPK14 (0.57) MAPK14
SCHEMBL3527013 0.92 MAPK14 (0.56) MAPK14
SCHEMBL5266414 0.92 MAPK14 (0.53) MAPK14PARP1
SCHEMBL3526853 0.91 MAPK14 (0.54) MAPK14
Hydrochloric Acid SCHEMBL3526994 0.91 MAPK14 (0.52) MAPK14PARP1
SCHEMBL3518598 0.87 MAPK14 (0.53) MAPK14
SCHEMBL3522259 0.86 MAPK14 (0.61) MAPK14
SCHEMBL6829445 0.86 MAPK14 (0.74) MAPK14
SCHEMBL3520442 0.86 MAPK14 (0.73) MAPK14

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