SCHEMBL30123645

SCHEMBL30123645

Cc1cc(C#Cc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 19/20 0.55
PDE4A P27815 10/20 0.55
PDE4B Q07343 10/20 0.55
PDE3B Q13370 9/20 0.55
PDE3A Q14432 7/20 0.55
LGALS3 P17931 1/20 0.48
PDE4D Q08499 1/20 0.48

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
SCHEMBL15733329 1.00 PDE10A (0.55) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL15022971 0.83 PDE10A (0.62) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL15022107 0.83 PDE10A (0.62) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL30123205 0.82 PDE10A (0.65) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL15733340 0.82 PDE10A (0.65) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL15733493 0.82 PDE10A (0.68) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL15733770 0.80 PDE10A (0.64) PDE10APDE4APDE4BPDE3BPDE3A
SCHEMBL15043339 0.79 PDE10A (0.78) PDE10A
SCHEMBL30123641 0.79 PDE10A (0.78) PDE10A
SCHEMBL15735061 0.79 PDE10A (0.64) PDE10ALGALS3PDE4D

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