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SCHEMBL22109889

SCHEMBL22109889

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1C(CCCC1COc2cc(C(N)=O)cc4nc(NC(=O)c5cc(C)nn5CC)n1c24)CO3

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.56
▸ TBK1 Q9UHD2 1/20 0.53

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
SCHEMBL22110044 0.98 STING1 (0.56) STING1TBK1
SCHEMBL21789991 0.97 STING1 (0.58) STING1TBK1
SCHEMBL23318682 0.96 STING1 (0.56) STING1TBK1
SCHEMBL21789632 0.96 STING1 (0.58) STING1TBK1
SCHEMBL21766168 0.96 STING1 (0.58) STING1TBK1
SCHEMBL23318806 0.95 STING1 (0.54) STING1TBK1
SCHEMBL21766331 0.95 STING1 (0.58) STING1TBK1
SCHEMBL21766326 0.95 STING1 (0.58) STING1TBK1
SCHEMBL21766155 0.94 STING1 (0.56) STING1TBK1
SCHEMBL23855739 0.94 STING1 (0.55) STING1TBK1

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-2020124059-A1 TRICYCLIC COMPOUNDS AS STING AGONISTS, AND PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2020-06-18 — — WO disclosed