SCHEMBL30011489

SCHEMBL30011489

C#CCn1c(=O)[nH]c2nc(N)ncc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 6/20 0.48
▸ ADORA3 P0DMS8 3/20 0.48
▸ CYP1A2 P05177 1/20 0.33
▸ TLR7 Q9NYK1 2/20 0.32
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ GLA P06280 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30

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
SCHEMBL23202404 1.00 ADORA2B (0.48) ADORA2BADORA3CYP1A2TLR7GRIN1
SCHEMBL30012916 0.79 ADORA3 (0.50) ADORA2BADORA3GRIN1GRIN2B
SCHEMBL30012911 0.79 ADORA3 (0.50) ADORA2BADORA3GRIN1GRIN2B
SCHEMBL30110524 0.79 ADORA3 (0.42) ADORA2BADORA3CYP1A2GRIN1GRIN2B
SCHEMBL23202127 0.79 ADORA3 (0.42) ADORA2BADORA3CYP1A2GRIN1GRIN2B
SCHEMBL31392649 0.79 ADORA3 (0.42) ADORA2BADORA3GRIN1GRIN2B
SCHEMBL23202362 0.76 GRIN1 (0.51) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL30011997 0.76 GRIN1 (0.51) GRIN1GRIN2BPDE4APDE4BPDE4C
SCHEMBL23202181 0.68 ADORA3 (0.43) ADORA2BADORA3GLA
SCHEMBL31392722 0.66 ADORA2B (0.51) ADORA2BADORA3GLABLM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533607-B TLR7 agonists 普利缪尼治疗学股份有限公司 2025-01-07 — — CN disclosed
EP-3801538-B1 TLR7 AGONISTS PRIMMUNE THERAPEUTICS INC (US) 2024-10-02 — — EP disclosed
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
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