SCHEMBL3262194

SCHEMBL3262194

COc1ccc(C2=CN(Cc3nc4cccc(C)c4o3)C(=O)NC2)cc1OC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.60
PDE4B Q07343 12/20 0.60
PDE4C Q08493 11/20 0.60
PDE4D Q08499 11/20 0.60
FPR2 P25090 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL3260159 0.92 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3262829 0.92 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3264649 0.90 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3238589 0.88 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3234652 0.88 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3224875 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3262220 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3238567 0.84 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DFPR2
SCHEMBL3238726 0.83 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL3263016 0.83 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DS1PR1

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