SCHEMBL21766440

SCHEMBL21766440

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 0.42
ENPP1 P22413 2/20 0.38
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
SCHEMBL22278160 0.92 STING1 (0.42) STING1
SCHEMBL21766454 0.90 STING1 (0.42) STING1ENPP1TBK1
SCHEMBL21766438 0.90 STING1 (0.42) STING1TBK1
SCHEMBL23585793 0.88 STING1 (0.43) STING1TBK1
SCHEMBL21753410 0.88 STING1 (0.39) STING1ENPP1TBK1
SCHEMBL21766531 0.85 STING1 (0.41) STING1
SCHEMBL21766140 0.83 STING1 (0.58) STING1ENPP1TBK1
SCHEMBL23637218 0.83 STING1 (0.36) STING1
SCHEMBL21753392 0.83 STING1 (0.42) STING1ENPP1TBK1
SCHEMBL30882061 0.83 STING1 (0.42) STING1ENPP1TBK1

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