SCHEMBL2840425

SCHEMBL2840425

COc1cc(C(F)(F)F)cc2c1nc(C)c1c(C)nc(-c3cnccc3C)n12

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.85
PDE2A O00408 16/20 0.85
PDE6D O43924 3/20 0.75
PDE6A P16499 3/20 0.75
PDE6G P18545 3/20 0.75
PDE6B P35913 3/20 0.75
PDE6C P51160 3/20 0.75
PDE6H Q13956 3/20 0.75
PDE11A Q9HCR9 2/20 0.74
PDE5A O76074 1/20 0.74
ADORA2A P29274 1/20 0.63
ADORA1 P30542 1/20 0.63
PDE7A Q13946 1/20 0.54

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
SCHEMBL971811 0.86 PDE10A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL3326093 0.86 PDE10A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL2792520 0.85 PDE2A (0.87) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL968670 0.85 PDE10A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL2788905 0.84 PDE10A (0.78) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL2791125 0.84 PDE10A (0.81) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL2789807 0.82 PDE10A (0.77) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL2790366 0.82 PDE10A (0.81) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL970261 0.79 PDE10A (1.00) PDE10APDE2APDE6DPDE6APDE6G
SCHEMBL7917756 0.78 PDE2A (0.87) PDE10APDE2APDE6DPDE6APDE6G

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-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 WO claimed