SCHEMBL21648072

SCHEMBL21648072

C=C(Nc1nc2cc(C(N)=O)cc(OC)c2n1CCCNC(=O)OCc1ccccc1)c1cc(C)nn1CC

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.89
IRF3 Q14653 1/20 0.78

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
SCHEMBL19449091 0.94 STING1 (1.00) STING1IRF3
SCHEMBL22135211 0.89 STING1 (1.00) STING1
SCHEMBL22135219 0.89 STING1 (0.90) STING1IRF3
SCHEMBL22135216 0.89 STING1 (0.91) STING1
SCHEMBL22135076 0.88 STING1 (1.00) STING1
SCHEMBL22119612 0.88 STING1 (1.00) STING1IRF3
SCHEMBL22135130 0.87 STING1 (1.00) STING1
SCHEMBL25786359 0.87 STING1 (1.00) STING1IRF3
SCHEMBL22135303 0.87 STING1 (0.87) STING1IRF3
SCHEMBL22135304 0.87 STING1 (0.90) 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
EP-3440072-B1 HETEROCYCLIC AMIDES USEFUL AS PROTEIN MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-01-29 EP disclosed