SCHEMBL28863699

SCHEMBL28863699

CCCCC(C)(CCC(N)=O)Nc1nc(Cl)nc2cc(F)c(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 9/20 0.38
▸ EGFR P00533 2/20 0.33
▸ KDR P35968 2/20 0.33
▸ TLR7 Q9NYK1 3/20 0.33
▸ HTT P42858 1/20 0.31
▸ EIF4A1 P60842 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
SCHEMBL28863698 1.00 TLR8 (0.38) TLR8EGFRKDRTLR7HTT
SCHEMBL19924197 0.84 TLR8 (0.36) TLR8EGFRKDRTLR7HTT
SCHEMBL19924195 0.84 TLR8 (0.36) TLR8EGFRKDRTLR7HTT
SCHEMBL19924141 0.73 TLR8 (0.48) TLR8TLR7
SCHEMBL19924139 0.73 TLR8 (0.48) TLR8TLR7
SCHEMBL30076056 0.73 TLR8 (0.48) TLR8TLR7
SCHEMBL19924206 0.72 TLR8 (0.41) TLR8EGFRKDRTLR7EIF4A1
SCHEMBL19924208 0.72 TLR8 (0.41) TLR8EGFRKDRTLR7EIF4A1
SCHEMBL30076142 0.72 TLR8 (0.41) TLR8EGFRKDRTLR7EIF4A1
SCHEMBL19924202 0.67 CYP1A2 (0.41) TLR8TLR7

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-109923106-B toll-like receptor modulator compounds 吉利德科学公司 2022-09-13 — — CN disclosed
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