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SCHEMBL4134553

SCHEMBL4134553

COc1ccc2nc(C)c3c(C)nc(-c4cccc(C(N)=O)c4C(C)C)n3c2n1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 20/20 0.78
▸ PDE2A O00408 18/20 0.61
▸ PDE7A Q13946 5/20 0.61
▸ PDE5A O76074 3/20 0.61
▸ PDE11A Q9HCR9 2/20 0.61
▸ PDE3A Q14432 1/20 0.51

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
SCHEMBL4126586 0.88 PDE10A (1.00) PDE10APDE2APDE7APDE5APDE11A
SCHEMBL4126238 0.87 PDE10A (0.82) PDE10APDE2APDE7APDE5APDE11A
SCHEMBL4122521 0.84 PDE10A (0.78) PDE10APDE2APDE7APDE5APDE11A
SCHEMBL4120215 0.76 PDE10A (0.82) PDE10APDE2APDE7APDE5APDE11A
SCHEMBL4116899 0.76 PDE10A (1.00) PDE10APDE2APDE7APDE5APDE11A
SCHEMBL4131536 0.75 PDE10A (1.00) PDE10APDE2APDE7APDE5APDE11A
SCHEMBL4120465 0.75 PDE10A (0.77) PDE10APDE2APDE7APDE5APDE11A
SCHEMBL3321196 0.74 PDE10A (0.75) PDE10APDE2APDE7APDE5APDE11A
SCHEMBL4120889 0.74 PDE10A (0.68) PDE10APDE2APDE7APDE5APDE11A
SCHEMBL4119845 0.74 PDE10A (0.68) PDE10APDE2APDE7APDE5APDE11A

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-2009070583-A1 PYRIDO[3,2-E]PYRAZINES, PROCESS FOR PREPARING THE SAME, AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 — — WO disclosed