SCHEMBL31024298

SCHEMBL31024298

CNCCCc1nc(N)c2sccc2n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 19/20 0.45
▸ PDE4B Q07343 19/20 0.45
▸ PDE4C Q08493 19/20 0.45
▸ PDE4D Q08499 19/20 0.45
▸ PDE3B Q13370 10/20 0.45
▸ PDE3A Q14432 10/20 0.45
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 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
Hydrochloric Acid SCHEMBL31024297 0.99 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7490709 0.84 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7495122 0.80 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL31745005 0.71 ADORA1 (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL24170311 0.68 ADORA2A (0.50) —
SCHEMBL30277827 0.68 ADORA2A (0.50) —
SCHEMBL31744975 0.68 ADORA1 (0.47) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL29661378 0.67 ADORA2A (0.56) —
SCHEMBL5065955 0.67 ADORA2A (0.56) —
Hydrochloric Acid SCHEMBL30277817 0.66 ADORA2A (0.49) —

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-118401243-A Methods of treating neurodegenerative diseases PTC医疗公司 2024-07-26 — — CN claimed
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