SCHEMBL30012403

SCHEMBL30012403

CCCCn1c(=O)n(Cc2ccc(OC)cc2)c2nc(N)nc(Cl)c21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.51
ADORA1 P30542 2/20 0.51
PROKR1 Q8TCW9 2/20 0.49
PDE5A O76074 3/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
NPSR1 Q6W5P4 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
PNP P00491 1/20 0.43
PROKR2 Q8NFJ6 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL23392733 1.00 ADORA3 (0.51) ADORA3ADORA1PROKR1PDE5APDE4A
SCHEMBL26926620 0.85 MAPT (0.50) ADORA3ADORA1PDE5APDE4APDE4B
SCHEMBL30012159 0.83 ADORA3 (0.59) ADORA3ADORA1PROKR1PDE5APDE4A
SCHEMBL23392748 0.83 ADORA3 (0.59) ADORA3ADORA1PROKR1PDE5APDE4A
SCHEMBL30012989 0.83 ADORA3 (0.55) ADORA3ADORA1PROKR1NPSR1TLR7
SCHEMBL23202134 0.83 ADORA3 (0.55) ADORA3ADORA1PROKR1NPSR1TLR7
SCHEMBL23202394 0.82 PDE5A (0.68) ADORA3PROKR1PDE5APDE4APDE4B
SCHEMBL30012671 0.82 PDE5A (0.68) ADORA3PROKR1PDE5APDE4APDE4B
SCHEMBL5606379 0.77 HSP90AA1 (0.56) TLR7
SCHEMBL23392898 0.77 ADORA3 (0.57) ADORA3ADORA1NPSR1

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
CN-115427063-A TLR7 agonists 普利缪尼治疗学股份有限公司 2022-12-02 CN disclosed
EP-4065155-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2022-10-05 EP disclosed