SCHEMBL31392722

SCHEMBL31392722

C#CCn1c(=O)[nH]c2ncn(N)c(=O)c21

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 6/20 0.51
▸ ADORA3 P0DMS8 3/20 0.51
▸ BLM P54132 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ CNOT7 Q9UIV1 4/20 0.36
▸ PARN O95453 1/20 0.36

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
SCHEMBL31392679 0.76 PDE4A (0.52) ADORA2BADORA3BLMALDH1A1LMNA
SCHEMBL31392715 0.70 GRIN1 (0.42) CNOT7PARN
SCHEMBL31392676 0.70 GRIN1 (0.50) ADORA2BADORA3MAPTCNOT7PARN
SCHEMBL3423318 0.68 ADORA2B (1.00) ADORA2BADORA3
SCHEMBL23202181 0.68 ADORA3 (0.43) ADORA2BADORA3GLAALDH1A1LMNA
SCHEMBL23202404 0.66 ADORA2B (0.48) ADORA2BADORA3BLMGLA
SCHEMBL11442354 0.65 BLM (0.54) ADORA2BADORA3BLMGLAALDH1A1
SCHEMBL23202127 0.63 ADORA3 (0.42) ADORA2BADORA3
SCHEMBL20995272 0.63 ADORA2B (0.46) ADORA2BADORA3BLMGLA
SCHEMBL1687952 0.63 ADORA2B (0.46) ADORA2BADORA3BLMGLACYP3A4

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-112533607-B TLR7 agonists 普利缪尼治疗学股份有限公司 2025-01-07 — — CN disclosed
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