SCHEMBL3260243

SCHEMBL3260243

COc1ccc(-c2cnc(=O)n(Cc3nc4cccc(C#N)c4o3)c2)cc1OC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.68
PDE4B Q07343 7/20 0.68
PDE4C Q08493 7/20 0.68
PDE4D Q08499 7/20 0.68
PDE5A O76074 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
FPR2 P25090 3/20 0.37
SSTR5 P35346 1/20 0.36
GAK O14976 1/20 0.36

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
SCHEMBL3240578 0.89 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3236918 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3231529 0.89 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3231727 0.88 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3240498 0.85 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DSSTR5
SCHEMBL3238900 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3262315 0.81 PDE4A (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL3234484 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3232546 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3239572 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DFPR2

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-2010029299-A1 PYRIMIDINONE DERIVATIES FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2010-03-18 WO disclosed