SCHEMBL4068948

SCHEMBL4068948

Cc1ccc(N)cc1-c1nc(N(CO)CCO)nc2c1ccc(=O)n2-c1c(F)cccc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.39
MAPK12 P53778 5/20 0.39
MAPK11 Q15759 5/20 0.39
MAPK14 Q16539 5/20 0.39
KCNH2 Q12809 1/20 0.39
PRKD3 O94806 1/20 0.33
CLK2 P49760 1/20 0.33
DYRK1A Q13627 1/20 0.33
PRKD2 Q9BZL6 1/20 0.33
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL4766490 0.86 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5738188 0.81 MAPK13 (0.41) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL2718489 0.79 MAPK14 (0.40) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL4299724 0.79 MAPK13 (0.33) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL2719310 0.78 MAPK14 (0.44) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5332150 0.78 PDE7A (0.33) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5254602 0.78 MAPK14 (0.34) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL2720676 0.78 MAPK14 (0.43) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5738681 0.78 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14KCNH2
SCHEMBL5256916 0.78 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-2034838-A2 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-03-18 EP disclosed
WO-2007147103-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed