SCHEMBL22136135

SCHEMBL22136135

COc1cc(C(N)=O)cc2nc(NC(=O)c3cn(C)cn3)n(CCCNC(=O)OCc3ccccc3)c12

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.82
IRF3 Q14653 1/20 0.61

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
SCHEMBL22136275 0.88 STING1 (0.81) STING1IRF3
SCHEMBL28517682 0.88 STING1 (0.81) STING1IRF3
SCHEMBL29692161 0.88 STING1 (0.81) STING1IRF3
SCHEMBL28508584 0.87 STING1 (1.00) STING1IRF3
SCHEMBL22135913 0.86 STING1 (0.77) STING1IRF3
SCHEMBL28509737 0.85 STING1 (0.75) STING1IRF3
SCHEMBL29692188 0.85 STING1 (0.75) STING1IRF3
SCHEMBL28905706 0.85 STING1 (0.78) STING1IRF3
SCHEMBL29692140 0.85 STING1 (0.78) STING1IRF3
SCHEMBL22136273 0.85 STING1 (0.77) STING1IRF3

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-2020132549-A1 STING HETEROCYCLE AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed