SCHEMBL4299724

SCHEMBL4299724

CSc1cccc(-c2nc(N(CO)CCO)nc3c2ccc(=O)n3-c2c(F)cccc2F)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.33
MAPK12 P53778 3/20 0.33
MAPK11 Q15759 3/20 0.33
MAPK14 Q16539 3/20 0.33
KCNH2 Q12809 1/20 0.33
PDE7A Q13946 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE7B Q9NP56 2/20 0.32

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
SCHEMBL5332150 0.91 PDE7A (0.33) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4766490 0.80 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4068948 0.79 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5254602 0.79 MAPK14 (0.34) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL3228361 0.78 DYRK3 (0.36) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4289881 0.78 MAPK11 (0.34) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5738188 0.78 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5738681 0.75 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5256394 0.73 PRKD3 (0.39) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5256916 0.71 MAPK14 (0.37) MAPK13MAPK12MAPK11MAPK14KCNH2

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-2031965-A2 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-03-11 EP disclosed
WO-2007147104-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed