SCHEMBL2791014

SCHEMBL2791014

Cc1ncccc1-c1nc(C)c2c(C)nc3c(F)cc(Cl)cc3n12

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.71
PDE2A O00408 17/20 0.71
PDE5A O76074 4/20 0.61
PDE11A Q9HCR9 4/20 0.61
PDE4A P27815 1/20 0.58
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL972085 0.83 PDE10A (1.00) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL2836675 0.81 PDE10A (0.79) PDE10APDE2APDE5APDE11A
SCHEMBL2788635 0.78 PDE10A (0.78) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL972664 0.76 PDE10A (1.00) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL971800 0.74 PDE10A (1.00) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL971103 0.73 PDE10A (0.77) PDE10APDE2APDE5APDE11A
SCHEMBL2791195 0.73 PDE10A (0.78) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL970617 0.73 PDE10A (0.74) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL2789807 0.73 PDE10A (0.77) PDE10APDE2APDE5APDE11APDE4A
SCHEMBL2791785 0.71 PDE10A (1.00) PDE10APDE2APDE5APDE11APDE4A

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