SCHEMBL22359151

SCHEMBL22359151

CCCCOc1nc(N)c2c(n1)n(Cc1ccc(CN3CCC(CCNC(=O)c4cc(F)c(N)c(F)c4)CC3)cc1)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 15/20 0.45
▸ IL6 P05231 5/20 0.45
▸ CHRM4 P08173 2/20 0.44
▸ TLR8 Q9NR97 4/20 0.42
▸ ACHE P22303 1/20 0.42
▸ MAOB P27338 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
SCHEMBL26347753 0.88 TLR7 (0.59) TLR7IL6TLR8
SCHEMBL22359353 0.80 TLR7 (0.58) TLR7IL6TLR8
SCHEMBL26347233 0.78 TLR7 (0.63) TLR7IL6TLR8
SCHEMBL26347786 0.78 TLR7 (0.61) TLR7IL6TLR8
SCHEMBL26347245 0.78 TLR7 (0.62) TLR7IL6TLR8
SCHEMBL26347230 0.77 TLR7 (0.60) TLR7IL6TLR8
SCHEMBL26347256 0.77 TLR7 (0.60) TLR7IL6TLR8
SCHEMBL29475703 0.77 TLR7 (0.60) TLR7IL6TLR8
SCHEMBL28663619 0.77 TLR7 (0.65) TLR7IL6TLR8
SCHEMBL29475679 0.76 TLR7 (0.60) TLR7IL6

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-2020168017-A1 COMPOSITIONS CONTAINING, METHODS AND USES OF ANTIBODY-TLR AGONIST CONJUGATES AMBRX, INC. (US) 2020-08-20 — — WO disclosed
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