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SCHEMBL23637230

SCHEMBL23637230

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCNC(=O)CN3CCN(C)CC3)c2n1CCC[C@H]1COc2cc(C(N)O)cc3nc(NC(=O)c4cc(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
SCHEMBL23637175 0.95 STING1 (0.58) STING1
SCHEMBL21790402 0.95 STING1 (0.56) STING1CYP3A4
SCHEMBL23637145 0.93 STING1 (0.55) STING1CYP3A4
SCHEMBL23637134 0.92 STING1 (0.49) STING1CYP3A4
SCHEMBL21789686 0.91 STING1 (0.56) STING1CYP3A4
SCHEMBL21789660 0.90 STING1 (0.56) STING1CYP3A4
SCHEMBL21789652 0.90 STING1 (0.62) STING1
SCHEMBL21789718 0.90 STING1 (0.55) STING1CYP3A4
SCHEMBL23637117 0.89 STING1 (0.52) STING1CYP3A4
SCHEMBL23637234 0.89 STING1 (0.65) 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 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