SCHEMBL7404117

SCHEMBL7404117

N#Cc1cccc(N(C(N)=O)c2ccc(C3=NCCc4ccc(F)cc43)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.35
BCL2 P10415 1/20 0.33
NPY5R Q15761 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLK1 P06870 1/20 0.33
CYP11B2 P19099 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KCNK3 O14649 2/20 0.32
BACE1 P56817 1/20 0.32
MAOB P27338 1/20 0.32
GRM5 P41594 2/20 0.32
PTGIR P43119 1/20 0.32
PTGDR Q13258 1/20 0.32
HCRTR1 O43613 1/20 0.31

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
SCHEMBL7406251 0.87 PLG (0.41) MAPK10PLGPLAUPLATKLK1
SCHEMBL7405526 0.84 MAPK10 (0.36) MAPK10NPY5RPLGPLAUPLAT
SCHEMBL7408668 0.84 MAPK10 (0.38) MAPK10NPY5RPLGPLAUPLAT
SCHEMBL7405026 0.84 MAPK10 (0.40) MAPK10PLGPLAUPLATKLK1
SCHEMBL7399046 0.83 MAPK10 (0.39) MAPK10PLGPLAUPLATKLK1
SCHEMBL7449476 0.82 MAPK10 (0.42) MAPK10PLGPLAUPLATKLK1
SCHEMBL7401465 0.80 MAPK10 (0.41) MAPK10PLGPLAUPLATKLK1
SCHEMBL7408189 0.80 PLG (0.39) MAPK10PLGPLAUPLATKLK1
SCHEMBL7400299 0.79 MAPK10 (0.40) MAPK10PLGPLAUPLATKLK1
SCHEMBL7406970 0.79 MAPK10 (0.38) MAPK10PLGPLAUPLATKLK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed