SCHEMBL21766182

SCHEMBL21766182

CCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc3c2n1CC1(COC1)CO3

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.46
STING1 Q86WV6 19/20 0.44
TBK1 Q9UHD2 1/20 0.39

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
SCHEMBL21766183 0.93 ENPP1 (0.45) ENPP1STING1TBK1
SCHEMBL23585782 0.91 ENPP1 (0.48) ENPP1STING1TBK1
SCHEMBL21766176 0.86 STING1 (0.54) ENPP1STING1TBK1
SCHEMBL23585695 0.86 STING1 (0.45) ENPP1STING1TBK1
SCHEMBL21766535 0.85 STING1 (0.33) ENPP1STING1
SCHEMBL21766410 0.85 ENPP1 (0.49) ENPP1STING1TBK1
SCHEMBL21766330 0.85 ENPP1 (0.48) ENPP1STING1TBK1
SCHEMBL21766149 0.84 ENPP1 (0.48) ENPP1STING1TBK1
SCHEMBL21766441 0.84 ENPP1 (0.48) ENPP1STING1TBK1
SCHEMBL21766354 0.82 ENPP1 (0.47) ENPP1STING1TBK1

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