SCHEMBL5254602

SCHEMBL5254602

O=c1ccc2c(Cl)nc(N(CO)CCO)nc2n1-c1c(F)cccc1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.34
MAPK13 O15264 5/20 0.34
MAPK12 P53778 5/20 0.34
MAPK11 Q15759 5/20 0.34
KCNH2 Q12809 1/20 0.34
PDE7A Q13946 3/20 0.33
HTT P42858 1/20 0.30

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
SCHEMBL4056370 0.82 MAPK11 (0.34) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3226831 0.81 PDE7A (0.34) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5332150 0.80 PDE7A (0.33) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4766490 0.79 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4299724 0.79 MAPK13 (0.33) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5738188 0.78 MAPK13 (0.41) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL3226827 0.78 PDE7A (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL4068948 0.78 MAPK13 (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5256394 0.75 PRKD3 (0.39) MAPK14MAPK13MAPK12MAPK11KCNH2
SCHEMBL5738681 0.75 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11KCNH2

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-1865959-A2 PROCESS FOR PREPARING PYRIDOÝ2,3-D¨PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDOÝ4,5-D¨PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-12-19 EP disclosed
WO-2006104917-A2 PROCESS FOR PREPARING PYRIDO[2,3-D]PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE DERIVATIVES GLAXO GROUP LIMITED (GB) 2006-10-05 WO disclosed