SCHEMBL2792520

SCHEMBL2792520

COc1cc(C(F)(F)F)cc2c1nc(C)c1c(C(F)(F)F)nc(-c3ccncc3C)n12

nearest known ligand 0.87

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 20/20 0.87
▸ PDE10A Q9Y233 20/20 0.87
▸ PDE6D O43924 3/20 0.68
▸ PDE6A P16499 3/20 0.68
▸ PDE6G P18545 3/20 0.68
▸ PDE6B P35913 3/20 0.68
▸ PDE6C P51160 3/20 0.68
▸ PDE6H Q13956 3/20 0.68
▸ PDE11A Q9HCR9 3/20 0.67
▸ ADORA2A P29274 1/20 0.66
▸ ADORA1 P30542 1/20 0.66
▸ PDE7A Q13946 2/20 0.57
▸ PDE5A O76074 1/20 0.56

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
SCHEMBL2791914 0.91 PDE2A (0.81) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL2844580 0.86 PDE2A (0.69) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL2840425 0.85 PDE10A (0.85) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL2792231 0.83 PDE10A (0.66) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL2791125 0.83 PDE10A (0.81) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL3329216 0.81 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL972290 0.80 PDE2A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL973300 0.79 PDE10A (1.00) PDE2APDE10APDE11AADORA2AADORA1
SCHEMBL7808426 0.79 PDE10A (1.00) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL2789807 0.76 PDE10A (0.77) PDE2APDE10APDE6DPDE6APDE6G

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
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