SCHEMBL2788890

SCHEMBL2788890

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

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.79
PDE2A O00408 16/20 0.79
ADORA2A P29274 1/20 0.72
ADORA1 P30542 1/20 0.72
PDE11A Q9HCR9 2/20 0.58
PDE7A Q13946 2/20 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
SCHEMBL973179 0.88 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL970116 0.84 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL973300 0.84 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL2789775 0.84 PDE10A (0.79) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL972184 0.80 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL12948063 0.79 PDE10A (0.76) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL969578 0.79 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL970252 0.77 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL971811 0.75 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL2792285 0.75 PDE10A (1.00) PDE10APDE2AADORA2AADORA1PDE11A

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 3 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
WO-2010138833-A1 SUBSTITUTED IMIDAZO[1,5-a]QUINOXALINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2010-12-02 WO disclosed