SCHEMBL13660313

SCHEMBL13660313

N#Cc1ccc(-n2c(C3CC4CCC3C4)nc3cccnc3c2=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.44
PDE4D Q08499 3/20 0.44
USP14 P54578 2/20 0.37
PDE4A P27815 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
PIK3CD O00329 6/20 0.34
PIK3CG P48736 3/20 0.33
PIK3CA P42336 1/20 0.33
SLC40A1 Q9NP59 2/20 0.32
PDE4C Q08493 1/20 0.32
PIK3CB P42338 1/20 0.32
JAK2 O60674 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
SCHEMBL13660459 0.84 PDE4B (0.46) PDE4BPDE4DUSP14PDE4AHRH3
SCHEMBL13660311 0.83 HRH3 (0.40) PDE4BPDE4DPDE4AHRH3PIK3CD
SCHEMBL13660460 0.82 PDE4B (0.39) PDE4BPDE4DUSP14PDE4AHRH3
SCHEMBL13660309 0.79 PDE4B (0.43) PDE4BPDE4DUSP14PDE4AHRH3
SCHEMBL13660312 0.79 PDE4B (0.43) PDE4BPDE4DUSP14PDE4AHRH3
SCHEMBL3169708 0.78 PDE4B (0.44) PDE4BPDE4DUSP14PDE4AHRH3
SCHEMBL3169713 0.78 PDE4B (0.44) PDE4BPDE4DUSP14PDE4AHRH3
SCHEMBL4755652 0.77 PDE4B (0.35) PDE4BPDE4DUSP14PIK3CAJAK2
SCHEMBL13660310 0.66 HRH3 (0.42) PDE4BPDE4DHRH3PIK3CD
SCHEMBL3177174 0.65 PDE4B (0.42) PDE4BPDE4DUSP14PDE4AHRH3

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-2009121036-A2 SUBSTITUTED ARYL PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2009-10-01 WO disclosed