SCHEMBL22150348

SCHEMBL22150348

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)ccc2n1CCCCn1c(NC(=O)C2COC2)nc2cccc(C)c21

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.70
TBK1 Q9UHD2 1/20 0.70

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
SCHEMBL19451917 0.92 STING1 (0.84) STING1TBK1
SCHEMBL22135282 0.89 STING1 (0.79) STING1TBK1
SCHEMBL22119470 0.87 STING1 (0.79) STING1TBK1
SCHEMBL22150390 0.86 STING1 (0.72) STING1TBK1
SCHEMBL22135065 0.86 STING1 (0.74) STING1TBK1
SCHEMBL22149985 0.86 STING1 (0.71) STING1TBK1
SCHEMBL22119553 0.85 STING1 (0.73) STING1TBK1
SCHEMBL22135271 0.85 STING1 (0.73) STING1TBK1
SCHEMBL22151441 0.85 STING1 (0.73) STING1TBK1
SCHEMBL22150424 0.85 STING1 (0.70) 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