SCHEMBL22150415

SCHEMBL22150415

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)OC)ccc2n1C

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.66
TBK1 Q9UHD2 1/20 0.66
IRF3 Q14653 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL19437609 0.89 STING1 (0.82) STING1TBK1
SCHEMBL19451506 0.86 STING1 (0.90) STING1TBK1
SCHEMBL31494201 0.86 STING1 (0.90) STING1TBK1
SCHEMBL22520079 0.84 STING1 (0.63) STING1TBK1IRF3
SCHEMBL22150368 0.84 STING1 (0.73) STING1TBK1
SCHEMBL22150068 0.84 STING1 (0.63) STING1TBK1
SCHEMBL24467521 0.83 STING1 (0.84) STING1TBK1
SCHEMBL19451507 0.83 STING1 (0.84) STING1TBK1
SCHEMBL22151664 0.83 STING1 (0.82) STING1TBK1
Trifluoroacetic Acid SCHEMBL29619904 0.81 STING1 (0.80) 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