SCHEMBL2844580

SCHEMBL2844580

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

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 20/20 0.69
PDE10A Q9Y233 20/20 0.69
PDE11A Q9HCR9 4/20 0.69
PDE6D O43924 3/20 0.66
PDE6A P16499 3/20 0.66
PDE6G P18545 3/20 0.66
PDE6B P35913 3/20 0.66
PDE6C P51160 3/20 0.66
PDE6H Q13956 3/20 0.66
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
PDE5A O76074 2/20 0.59
PDE7A Q13946 1/20 0.51
PDE4A P27815 1/20 0.48

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 0.93 PDE2A (0.81) PDE2APDE10APDE11APDE6DPDE6A
SCHEMBL2792520 0.86 PDE2A (0.87) PDE2APDE10APDE11APDE6DPDE6A
SCHEMBL2791125 0.85 PDE10A (0.81) PDE2APDE10APDE11APDE6DPDE6A
SCHEMBL2790774 0.85 PDE10A (0.82) PDE2APDE10APDE11APDE6DPDE6A
SCHEMBL2790366 0.83 PDE10A (0.81) PDE2APDE10APDE11APDE6DPDE6A
SCHEMBL972290 0.83 PDE2A (1.00) PDE2APDE10APDE11APDE6DPDE6A
SCHEMBL3323060 0.80 PDE2A (1.00) PDE2APDE10APDE11APDE6DPDE6A
SCHEMBL2792285 0.79 PDE10A (1.00) PDE2APDE10APDE11APDE6DPDE6A
SCHEMBL2790549 0.76 PDE10A (0.80) PDE2APDE10APDE11APDE6DPDE6A
SCHEMBL973300 0.76 PDE10A (1.00) PDE2APDE10APDE11AADORA2AADORA1

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