SCHEMBL28510957

SCHEMBL28510957

COCCCOc1cc(C(N)=O)cc2nc(Nc3ccccn3)n(CCCNC(=O)OCc3ccccc3)c12

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.83
▸ IRF3 Q14653 1/20 0.52

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
SCHEMBL28512134 0.93 STING1 (0.81) STING1IRF3
SCHEMBL29692181 0.92 STING1 (0.75) STING1IRF3
SCHEMBL28510948 0.92 STING1 (0.75) STING1IRF3
SCHEMBL28796503 0.88 STING1 (0.70) STING1
SCHEMBL28906818 0.84 STING1 (0.60) STING1
SCHEMBL25786359 0.82 STING1 (1.00) STING1IRF3
SCHEMBL28511572 0.81 STING1 (0.68) STING1
SCHEMBL22136275 0.80 STING1 (0.81) STING1IRF3
SCHEMBL22135949 0.79 STING1 (0.75) STING1IRF3
SCHEMBL28507668 0.79 STING1 (0.80) STING1

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
CN-112279835-B Aromatic ring or aromatic heterocyclic imidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2022-07-22 — — CN disclosed
CN-112279835-A Aromatic ring or aromatic heterocyclic imidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2021-01-29 — — CN disclosed
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