SCHEMBL31392679

SCHEMBL31392679

CCCCn1c(=O)[nH]c2ncn(N)c(=O)c21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 5/20 0.52
▸ ADORA2A P29274 5/20 0.52
▸ PDE4B Q07343 5/20 0.52
▸ PDE4C Q08493 5/20 0.52
▸ PDE4D Q08499 5/20 0.52
▸ ADORA2B P29275 5/20 0.52
▸ ADORA3 P0DMS8 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ BRD4 O60885 1/20 0.47
▸ BRD2 P25440 1/20 0.47
▸ BRD3 Q15059 1/20 0.47
▸ BRDT Q58F21 1/20 0.47
▸ CNOT7 Q9UIV1 1/20 0.44
▸ BLM P54132 2/20 0.44
▸ RGS12 O14924 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL31392722 0.76 ADORA2B (0.51) ADORA2BADORA3ALDH1A1CNOT7BLM
SCHEMBL10696644 0.73 ADORA2B (0.65) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL10696881 0.72 CNOT7 (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL8355196 0.71 CYP3A4 (0.64) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL11873472 0.70 ADORA2B (0.59) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL31392715 0.69 GRIN1 (0.42) MEN1KMT2ABRD4CNOT7POLB
SCHEMBL5174205 0.69 ADORA2B (0.51) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL31392676 0.69 GRIN1 (0.50) ADORA2BADORA3CNOT7MAPT
SCHEMBL26925735 0.69 CYP3A4 (0.66) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL10696008 0.69 ADORA2B (0.46) PDE4AADORA2APDE4BPDE4CPDE4D

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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