SCHEMBL30076081

SCHEMBL30076081

CCCC[C@H](CNC(C)=O)Nc1nc(Cl)nc2cc(F)c(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 12/20 0.41
▸ TLR8 Q9NR97 2/20 0.35
▸ TLR7 Q9NYK1 2/20 0.35
▸ EGFR P00533 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ EIF4A1 P60842 1/20 0.31
▸ SOS1 Q07889 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
SCHEMBL19924288 1.00 KCNH2 (0.41) KCNH2TLR8TLR7EGFRKDR
SCHEMBL19924286 1.00 KCNH2 (0.41) KCNH2TLR8TLR7EGFRKDR
SCHEMBL19935525 0.88 KCNH2 (0.56) KCNH2TLR8TLR7EGFRKDR
SCHEMBL30076138 0.88 KCNH2 (0.55) KCNH2TLR8TLR7
SCHEMBL19924219 0.88 KCNH2 (0.55) KCNH2TLR8TLR7
SCHEMBL19924220 0.88 KCNH2 (0.55) KCNH2TLR8TLR7
SCHEMBL19935595 0.83 TLR8 (0.54) KCNH2TLR8TLR7ALDH1A1
SCHEMBL19998638 0.81 KCNH2 (0.39) KCNH2TLR8TLR7ALDH1A1
SCHEMBL19924210 0.77 PDE4A (0.39) TLR8TLR7ALDH1A1
SCHEMBL19924213 0.77 PDE4A (0.39) TLR8TLR7ALDH1A1

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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