SCHEMBL21753404

SCHEMBL21753404

CC[C@H]1COc2cc(C(N)=O)cc3nc(NC(=O)c4c(Br)c(C)nn4CC)n1c23

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.42
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL30882058 1.00 STING1 (0.42) STING1TBK1
SCHEMBL21753416 0.90 STING1 (0.42) STING1TBK1
SCHEMBL30882061 0.90 STING1 (0.42) STING1TBK1
SCHEMBL21753392 0.90 STING1 (0.42) STING1TBK1
SCHEMBL21766453 0.89 STING1 (0.41) STING1TBK1
SCHEMBL23637182 0.84 STING1 (0.58) STING1TBK1
SCHEMBL21753364 0.84 STING1 (0.58) STING1TBK1
SCHEMBL21766225 0.84 STING1 (0.41) STING1TBK1
SCHEMBL21766454 0.83 STING1 (0.42) STING1TBK1
SCHEMBL21789753 0.82 STING1 (0.42) STING1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842437-B1 HIGH ACTIVITY STING PROTEIN AGONIST ADLAI NORTYE BIOPHARMA CO LTD (CN) 2024-04-10 EP disclosed
CN-111386275-B High activity STING protein agonists 杭州阿诺生物医药科技有限公司 2023-03-10 CN disclosed
EP-3842437-A1 HIGH ACTIVITY STING PROTEIN AGONIST Adlai Nortye Biopharma Co., Ltd. (CN) 2021-06-30 EP disclosed
EP-3842437-A1 HIGH ACTIVITY STING PROTEIN AGONIST Adlai Nortye Biopharma Co., Ltd. (CN) 2021-06-30 EP disclosed
CN-111386275-A High activity STING protein agonists 杭州阿诺生物医药科技有限公司 2020-07-07 CN 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
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