SCHEMBL2791914

SCHEMBL2791914

COc1cc(OC)c2nc(C)c3c(C(F)(F)F)nc(-c4ccncc4C)n3c2c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 20/20 0.81
PDE10A Q9Y233 20/20 0.81
PDE11A Q9HCR9 4/20 0.81
PDE5A O76074 2/20 0.68
ADORA2A P29274 1/20 0.67
ADORA1 P30542 1/20 0.67
PDE6D O43924 4/20 0.63
PDE6A P16499 4/20 0.63
PDE6G P18545 4/20 0.63
PDE6B P35913 4/20 0.63
PDE6C P51160 4/20 0.63
PDE6H Q13956 4/20 0.63
PDE4A P27815 1/20 0.55
PDE7A Q13946 1/20 0.53

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
SCHEMBL2844580 0.93 PDE2A (0.69) PDE2APDE10APDE11APDE5AADORA2A
SCHEMBL2791125 0.92 PDE10A (0.81) PDE2APDE10APDE11APDE5AADORA2A
SCHEMBL2792520 0.91 PDE2A (0.87) PDE2APDE10APDE11APDE5AADORA2A
SCHEMBL972290 0.90 PDE2A (1.00) PDE2APDE10APDE11APDE5AADORA2A
SCHEMBL2790549 0.83 PDE10A (0.80) PDE2APDE10APDE11APDE5APDE6D
SCHEMBL968670 0.81 PDE10A (1.00) PDE2APDE10APDE11APDE5AADORA2A
SCHEMBL970252 0.80 PDE10A (1.00) PDE2APDE10APDE11APDE5AADORA2A
SCHEMBL973300 0.80 PDE10A (1.00) PDE2APDE10APDE11APDE5AADORA2A
SCHEMBL2846138 0.78 PDE10A (1.00) PDE2APDE10APDE11APDE5AADORA2A
SCHEMBL3325984 0.77 PDE2A (1.00) PDE2APDE10APDE11APDE5AADORA2A

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