SCHEMBL4121560

SCHEMBL4121560

COc1ccc2n[c]c3c(C)nc(CCC(F)(F)F)n3c2n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 0.51
PDE2A O00408 1/20 0.49
PDE5A O76074 1/20 0.49
PDE4A P27815 1/20 0.49
PDE4D Q08499 1/20 0.49
PDE7A Q13946 1/20 0.49
PDE3A Q14432 1/20 0.49
PDE11A Q9HCR9 1/20 0.49
PDE7B Q9NP56 1/20 0.49

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
SCHEMBL4122628 0.81 PDE10A (0.73) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL4124572 0.78 PDE10A (0.62) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL4124867 0.78 PDE10A (0.62) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL4110025 0.74 PDE10A (0.57) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL4122699 0.72 PDE10A (0.79) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL4106503 0.70 PDE10A (0.49) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL4120681 0.67 PDE10A (0.52) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL3997814 0.66 PDE10A (1.00) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL7909727 0.65 PDE10A (0.70) PDE10APDE2APDE5APDE4APDE4D
SCHEMBL3995422 0.63 PDE10A (1.00) PDE10APDE2APDE5APDE4APDE4D

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-2009070583-A1 PYRIDO[3,2-E]PYRAZINES, PROCESS FOR PREPARING THE SAME, AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 WO disclosed