SCHEMBL5266741

SCHEMBL5266741

CNCc1cnc(Cn2c(C)nc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.46
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
SLC6A4 P31645 2/20 0.44

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
Trifluoroacetic Acid SCHEMBL3522477 0.93 MAPK14 (0.43) MAPK14HTR2AHTR2CSLC6A4
SCHEMBL3524990 0.90 MAPK14 (0.48) MAPK14
SCHEMBL3525655 0.90 MAPK14 (0.53) MAPK14
SCHEMBL3519190 0.89 MAPK14 (0.58) MAPK14
SCHEMBL3520390 0.89 MAPK14 (0.48) MAPK14
SCHEMBL5270348 0.88 MAPK14 (0.47) MAPK14
SCHEMBL5265292 0.87 MAPK14 (0.46) MAPK14
SCHEMBL5268160 0.87 MAPK14 (0.54) MAPK14
SCHEMBL3521433 0.87 MAPK14 (0.55) MAPK14HTR2AHTR2CSLC6A4
SCHEMBL3521387 0.87 MAPK14 (0.47) 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