SCHEMBL22150233

SCHEMBL22150233

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)NCCN)ccc2n1CCCCn1c(NC)nc2cc(C(N)=O)ccc21

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.81
TBK1 Q9UHD2 1/20 0.80

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
SCHEMBL20889225 1.00 STING1 (0.81) STING1TBK1
SCHEMBL19449052 0.97 STING1 (0.86) STING1TBK1
Trifluoroacetic Acid SCHEMBL23227921 0.92 STING1 (0.78) STING1TBK1
SCHEMBL19451923 0.90 STING1 (0.87) STING1TBK1
SCHEMBL21628329 0.90 STING1 (1.00) STING1TBK1
SCHEMBL19436561 0.90 STING1 (0.93) STING1TBK1
SCHEMBL19451739 0.89 STING1 (1.00) STING1TBK1
SCHEMBL29526123 0.89 STING1 (1.00) STING1TBK1
SCHEMBL22428327 0.89 STING1 (0.73) STING1TBK1
SCHEMBL19451898 0.89 STING1 (0.91) 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