SCHEMBL30842239

SCHEMBL30842239

CCN(Cc1nc2c(N)nc3cc(Br)ccc3c2n1CCOCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 17/20 0.55
▸ TLR8 Q9NR97 6/20 0.55
▸ NLRP3 Q96P20 2/20 0.52
▸ NUDT1 P36639 1/20 0.41

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
SCHEMBL20741453 1.00 TLR7 (0.55) TLR7TLR8NLRP3NUDT1
SCHEMBL20475956 0.92 TLR7 (0.62) TLR7TLR8NLRP3
SCHEMBL26863056 0.89 NLRP3 (0.56) TLR7TLR8NLRP3
SCHEMBL20476287 0.87 TLR7 (0.39) TLR7TLR8NLRP3
SCHEMBL30842214 0.87 TLR7 (0.39) TLR7TLR8NLRP3
SCHEMBL22814334 0.86 TLR7 (0.55) TLR7TLR8NLRP3
SCHEMBL30842225 0.86 NLRP3 (0.74) TLR7TLR8NLRP3
SCHEMBL20475941 0.86 NLRP3 (0.74) TLR7TLR8NLRP3
SCHEMBL30842212 0.86 NLRP3 (0.59) TLR7TLR8NLRP3
SCHEMBL20741464 0.86 NLRP3 (0.59) TLR7TLR8NLRP3

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-110325534-B Substituted imidazoquinolines as NLRP3 modulators 先天肿瘤免疫公司 2024-04-05 — — CN disclosed
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