SCHEMBL30123142

SCHEMBL30123142

c1ccc2nc(COc3ccc(-c4nccn4-c4ccncc4)cc3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 11/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ LGALS3 P17931 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ CYSLTR2 Q9NS75 1/20 0.53
▸ CYSLTR1 Q9Y271 1/20 0.53
▸ MAPK9 P45984 1/20 0.53
▸ MAPK10 P53779 1/20 0.53

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
SCHEMBL3270747 1.00 PDE10A (0.61) PDE10ACYP1A2LGALS3PDE4DCYSLTR2
SCHEMBL3271852 0.96 PDE10A (0.62) PDE10ACYP1A2LGALS3PDE4DCYSLTR2
SCHEMBL30123158 0.96 PDE10A (0.62) PDE10ACYP1A2LGALS3PDE4DCYSLTR2
SCHEMBL3271022 0.85 PDE10A (0.61) PDE10ACYP1A2LGALS3PDE4DCYSLTR2
SCHEMBL30123543 0.85 PDE10A (0.61) PDE10ACYP1A2LGALS3PDE4DCYSLTR2
SCHEMBL30123173 0.81 PDE10A (0.61) PDE10ACYP1A2LGALS3PDE4DCYSLTR2
SCHEMBL3270930 0.81 PDE10A (0.61) PDE10ACYP1A2LGALS3PDE4DCYSLTR2
SCHEMBL3270100 0.81 PDE10A (0.66) PDE10ACYP1A2LGALS3PDE4DCYSLTR2
SCHEMBL30123117 0.81 PDE10A (0.66) PDE10ACYP1A2LGALS3PDE4DCYSLTR2
SCHEMBL1423674 0.78 PDE10A (0.71) PDE10ALGALS3PDE4DCYSLTR2CYSLTR1

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
CN-115484938-A Composition and use thereof 博善人工智能剑桥有限公司 2022-12-16 — — CN disclosed
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