SCHEMBL22151677

SCHEMBL22151677

CCc1nc(C)oc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1C/C=C/Cn1c(NC(=O)c2oc(C)nc2CC)nc2cc(C(N)O)cc(C)c21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 20/20 0.56
▸ TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL22151399 0.92 STING1 (0.46) STING1TBK1
SCHEMBL22121523 0.92 STING1 (0.64) STING1TBK1
SCHEMBL22121519 0.92 STING1 (0.64) STING1TBK1
SCHEMBL22151737 0.87 STING1 (0.60) STING1TBK1
SCHEMBL22151727 0.84 STING1 (0.58) STING1TBK1
SCHEMBL29684274 0.83 STING1 (0.52) STING1TBK1
SCHEMBL22150260 0.83 STING1 (0.52) STING1TBK1
SCHEMBL28751732 0.83 STING1 (0.52) STING1TBK1
SCHEMBL22151480 0.82 STING1 (0.67) STING1
SCHEMBL22121082 0.80 STING1 (0.54) 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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 — — WO disclosed
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