SCHEMBL24732836

SCHEMBL24732836

CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CN2CCCC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.80
▸ TLR8 Q9NR97 3/20 0.78

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
SCHEMBL24733521 0.97 TLR7 (0.81) TLR7TLR8
SCHEMBL30267787 0.90 TLR7 (1.00) TLR7TLR8
SCHEMBL16487370 0.90 TLR7 (1.00) TLR7TLR8
SCHEMBL20152981 0.89 TLR7 (0.89) TLR7TLR8
SCHEMBL15703349 0.89 TLR7 (1.00) TLR7TLR8
SCHEMBL30577190 0.88 TLR7 (1.00) TLR7TLR8
SCHEMBL13837280 0.88 TLR7 (1.00) TLR7TLR8
SCHEMBL13837354 0.88 TLR7 (1.00) TLR7TLR8
SCHEMBL26981061 0.87 TLR7 (1.00) TLR7TLR8
Hydrochloric Acid SCHEMBL15881955 0.87 TLR7 (0.98) TLR7TLR8

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
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 — — WO disclosed
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