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SCHEMBL23637213

SCHEMBL23637213

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCNC(=O)CN(C)C)c2n1CCC[C@H]1COc2cc(C(N)=O)cc3nc(NC(=O)c4c(Br)c(C)nn4CC)n1c23

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.52
▸ CYP3A4 P08684 1/20 0.48

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
SCHEMBL21776855 0.94 STING1 (0.58) STING1CYP3A4
SCHEMBL21789845 0.94 STING1 (0.52) STING1CYP3A4
SCHEMBL21776711 0.94 STING1 (0.52) STING1CYP3A4
SCHEMBL23637217 0.94 STING1 (0.52) STING1CYP3A4
SCHEMBL21789836 0.91 STING1 (0.56) STING1
SCHEMBL21790336 0.91 STING1 (0.56) STING1
SCHEMBL21790435 0.89 STING1 (0.52) STING1CYP3A4
SCHEMBL21789650 0.89 STING1 (0.54) STING1CYP3A4
SCHEMBL21789624 0.89 STING1 (0.57) STING1CYP3A4
SCHEMBL21790097 0.89 STING1 (0.57) STING1CYP3A4

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
EP-3848366-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-07-14 — — EP disclosed