SCHEMBL2792285

SCHEMBL2792285

Cc1cnccc1-c1nc(C)c2c(C)nc3c(F)cc(OC(F)F)cc3n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00
PDE2A O00408 18/20 1.00
PDE11A Q9HCR9 3/20 0.61
PDE6D O43924 1/20 0.61
PDE6A P16499 1/20 0.61
PDE6G P18545 1/20 0.61
PDE6B P35913 1/20 0.61
PDE6C P51160 1/20 0.61
PDE6H Q13956 1/20 0.61
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
PDE7A Q13946 1/20 0.58
PDE5A O76074 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
SCHEMBL970252 0.88 PDE10A (1.00) PDE10APDE2APDE11APDE6DPDE6A
SCHEMBL2790365 0.85 PDE10A (0.80) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL973179 0.83 PDE10A (1.00) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2789790 0.83 PDE10A (0.76) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2790212 0.83 PDE10A (1.00) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2789775 0.81 PDE10A (0.79) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2789805 0.81 PDE10A (1.00) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2792240 0.81 PDE10A (0.72) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL2790378 0.80 PDE10A (0.71) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL970990 0.80 PDE10A (1.00) PDE10APDE2APDE11APDE6DPDE6A

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