SCHEMBL21766438

SCHEMBL21766438

CCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CCO3

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.42
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL21766531 0.95 STING1 (0.41) STING1
SCHEMBL22278197 0.92 STING1 (0.42) STING1
SCHEMBL21766454 0.90 STING1 (0.42) STING1TBK1
SCHEMBL21766440 0.90 STING1 (0.42) STING1TBK1
SCHEMBL22278377 0.89 STING1 (0.38) STING1
SCHEMBL22278333 0.89 STING1 (0.38) STING1
SCHEMBL22278212 0.89 STING1 (0.38) STING1
SCHEMBL23585793 0.88 STING1 (0.43) STING1TBK1
SCHEMBL21753599 0.88 STING1 (0.38) STING1TBK1
SCHEMBL21753369 0.88 STING1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842437-A1 HIGH ACTIVITY STING PROTEIN AGONIST Adlai Nortye Biopharma Co., Ltd. (CN) 2021-06-30 EP disclosed
WO-2020038387-A1 HIGH ACTIVITY STING PROTEIN AGONIST 杭州阿诺生物医药科技有限公司 2020-02-27 WO disclosed