SCHEMBL29475671

SCHEMBL29475671

CCCCOc1cc2c([nH]c(=O)n2Cc2ccc(CN3CCC(CCNC(=O)[C@@H](N)CN=[N+]=[N-])CC3)cc2)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 19/20 0.43
▸ IL6 P05231 9/20 0.42
▸ TLR8 Q9NR97 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL29034540 1.00 TLR7 (0.43) TLR7IL6TLR8BCHEACHE
SCHEMBL29034541 1.00 TLR7 (0.43) TLR7IL6TLR8BCHEACHE
SCHEMBL26347307 0.88 TLR7 (0.56) TLR7IL6TLR8
SCHEMBL22359142 0.85 TLR7 (0.40) TLR7IL6BCHEACHE
SCHEMBL28659945 0.85 TLR7 (0.40) TLR7IL6BCHEACHE
SCHEMBL29034560 0.83 CHRM4 (0.48) TLR7IL6ACHE
SCHEMBL29034555 0.83 ACHE (0.47) TLR7IL6ACHE
SCHEMBL29475661 0.83 ACHE (0.47) TLR7IL6ACHE
SCHEMBL22359282 0.83 TLR7 (0.45) TLR7IL6TLR8BCHEACHE
SCHEMBL29034549 0.81 TLR7 (0.54) TLR7IL6TLR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4199968-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF Ambrx, Inc. (US) 2023-06-28 — — EP disclosed
WO-2022040596-A1 ANTIBODY-TLR AGONIST CONJUGATES, METHODS AND USES THEREOF AMBRX, INC. (US) 2022-02-24 — — WO disclosed
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