SCHEMBL21766181

SCHEMBL21766181

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc3c2n1CC1(CCC1)CO3

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 0.53
TBK1 Q9UHD2 1/20 0.49
ENPP1 P22413 2/20 0.47

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
SCHEMBL21766132 0.97 STING1 (0.54) STING1TBK1ENPP1
SCHEMBL21766176 0.93 STING1 (0.54) STING1TBK1ENPP1
SCHEMBL21753433 0.90 STING1 (0.55) STING1TBK1ENPP1
SCHEMBL21753365 0.89 STING1 (0.54) STING1TBK1ENPP1
SCHEMBL21766183 0.87 ENPP1 (0.45) STING1TBK1ENPP1
SCHEMBL31454712 0.85 STING1 (0.51) STING1TBK1ENPP1
SCHEMBL21766391 0.85 STING1 (0.37) STING1TBK1ENPP1
SCHEMBL21766106 0.85 STING1 (0.55) STING1TBK1ENPP1
SCHEMBL21766112 0.85 STING1 (0.56) STING1TBK1ENPP1
SCHEMBL21766523 0.84 STING1 (0.56) STING1TBK1ENPP1

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