SCHEMBL2836675

SCHEMBL2836675

Cc1ccncc1-c1nc(C)c2c(C)nc3c(F)cc(Cl)cc3n12

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.79
PDE2A O00408 15/20 0.72
PDE5A O76074 1/20 0.58
PDE11A Q9HCR9 1/20 0.58
ADORA2A P29274 1/20 0.52
ADORA1 P30542 1/20 0.52

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
SCHEMBL969578 0.88 PDE10A (1.00) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL970990 0.84 PDE10A (1.00) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL2791014 0.81 PDE10A (0.71) PDE10APDE2APDE5APDE11A
SCHEMBL969970 0.80 PDE10A (1.00) PDE10APDE2APDE5APDE11A
SCHEMBL973179 0.79 PDE10A (1.00) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL971811 0.77 PDE10A (1.00) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL2790561 0.77 PDE10A (0.84) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL2789775 0.77 PDE10A (0.79) PDE10APDE2APDE11AADORA2AADORA1
SCHEMBL970252 0.75 PDE10A (1.00) PDE10APDE2APDE5APDE11AADORA2A
SCHEMBL971040 0.75 PDE10A (1.00) PDE10APDE2APDE5APDE11AADORA2A

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