SCHEMBL3263227

SCHEMBL3263227

COc1ccc(-c2cnc(=O)n(Cc3cc(C)nn3C)c2)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 14/20 0.51
PDE4B Q07343 12/20 0.51
PDE4A P27815 12/20 0.51
PDE4C Q08493 11/20 0.51
QPCT Q16769 1/20 0.41
KCNH2 Q12809 1/20 0.40
GAK O14976 1/20 0.40

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
SCHEMBL3231848 0.82 PDE4B (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL3231830 0.81 PDE4A (0.52) PDE4DPDE4BPDE4APDE4CGAK
SCHEMBL2371367 0.81 PDE4A (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL3239581 0.79 PDE4D (0.52) PDE4DPDE4BPDE4APDE4C
SCHEMBL3232558 0.79 PDE4A (0.52) PDE4DPDE4BPDE4APDE4CGAK
SCHEMBL3239951 0.79 PDE4A (0.52) PDE4DPDE4BPDE4APDE4CGAK
SCHEMBL3263130 0.79 PDE4A (0.52) PDE4DPDE4BPDE4APDE4CGAK
SCHEMBL3232600 0.78 PDE4A (0.50) PDE4DPDE4BPDE4APDE4CQPCT
SCHEMBL3236840 0.77 PDE4A (0.48) PDE4DPDE4BPDE4APDE4C
SCHEMBL3236235 0.77 PDE4A (0.48) PDE4DPDE4BPDE4APDE4C

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