SCHEMBL30076142

SCHEMBL30076142

CCCC[C@](C)(CNC(C)=O)Nc1nc(Cl)nc2cc(F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 6/20 0.41
▸ KCNH2 Q12809 2/20 0.37
▸ EGFR P00533 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ ABL1 P00519 1/20 0.33
▸ EIF4A1 P60842 1/20 0.33
▸ KCNA3 P22001 1/20 0.32
▸ KCNA5 P22460 1/20 0.32
▸ TLR7 Q9NYK1 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ MOK Q9UQ07 1/20 0.32
▸ CYSLTR2 Q9NS75 1/20 0.31
▸ CYSLTR1 Q9Y271 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ AGTR1 P30556 1/20 0.31
▸ AGTR2 P50052 1/20 0.31

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
SCHEMBL19924206 1.00 TLR8 (0.41) TLR8KCNH2EGFRKDRABL1
SCHEMBL19924208 1.00 TLR8 (0.41) TLR8KCNH2EGFRKDRABL1
SCHEMBL19924183 0.88 TLR8 (0.54) TLR8KCNH2TLR7
SCHEMBL30076088 0.88 TLR8 (0.54) TLR8KCNH2TLR7
SCHEMBL19924181 0.88 TLR8 (0.54) TLR8KCNH2TLR7
SCHEMBL19924197 0.88 TLR8 (0.36) TLR8EGFRKDREIF4A1TLR7
SCHEMBL19924195 0.88 TLR8 (0.36) TLR8EGFRKDREIF4A1TLR7
SCHEMBL30076201 0.86 CYP1A2 (0.41) TLR8TLR7ACHE
SCHEMBL19924202 0.86 CYP1A2 (0.41) TLR8TLR7ACHE
SCHEMBL19924198 0.86 CYP1A2 (0.41) TLR8TLR7ACHE

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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