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SCHEMBL3668628

SCHEMBL3668628

COc1cc2nc(C)c3c(C)nc(-c4c(C)nn(C)c4C)n3c2cc1Cl.COc1cc2nc(C)c3c(C)nc(-c4ccccc4Cl)n3c2cc1Cl.COc1cc2nc(C)c3c(C)nc(-c4cccnc4C)n3c2cc1Cl.COc1cc2nc(C)c3c(C)nc(-c4ccncc4C)n3c2cc1Cl.COc1cc2nc(C)c3c(C)nc(-c4cnccc4C)n3c2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 20/20 0.44
▸ PDE2A O00408 16/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ PDE11A Q9HCR9 5/20 0.41
▸ PDE5A O76074 3/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE7A Q13946 1/20 0.39

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
SCHEMBL969498 0.79 PDE10A (0.67) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL971403 0.79 PDE10A (0.67) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL970300 0.78 PDE10A (0.61) PDE10APDE2APDE11APDE5APDE4A
SCHEMBL968458 0.77 PDE10A (0.59) PDE10APDE2APDE7A
SCHEMBL969760 0.76 PDE2A (0.59) PDE10APDE2APDE11APDE5APDE4A
SCHEMBL3665598 0.75 PDE10A (0.53) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL970857 0.75 PDE10A (0.58) PDE10APDE2APDE11APDE5APDE4A
SCHEMBL3665677 0.68 PDE10A (0.57) PDE10APDE2AADORA2AADORA1PDE11A
SCHEMBL969103 0.67 PDE10A (0.61) PDE10APDE2APDE11APDE5APDE7A
SCHEMBL971635 0.64 PDE10A (1.00) PDE10APDE2APDE11APDE5APDE7A

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
EP-2225248-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 Wyeth LLC (US) 2010-09-08 — — EP disclosed
WO-2009070584-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-A]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 WYETH (US) 2009-06-04 — — WO disclosed