SCHEMBL21766410

SCHEMBL21766410

CCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc3c2n1CCO3

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.49
STING1 Q86WV6 19/20 0.48
TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL21766441 0.95 ENPP1 (0.48) ENPP1STING1TBK1
SCHEMBL23585782 0.87 ENPP1 (0.48) ENPP1STING1TBK1
SCHEMBL21766442 0.86 ENPP1 (0.47) ENPP1STING1TBK1
SCHEMBL21766354 0.86 ENPP1 (0.47) ENPP1STING1TBK1
SCHEMBL21766325 0.85 ENPP1 (0.49) ENPP1STING1TBK1
SCHEMBL21766182 0.85 ENPP1 (0.46) ENPP1STING1TBK1
SCHEMBL21766416 0.85 STING1 (0.49) STING1TBK1
SCHEMBL21766140 0.85 STING1 (0.58) ENPP1STING1TBK1
SCHEMBL21766183 0.84 ENPP1 (0.45) ENPP1STING1TBK1
SCHEMBL21766186 0.84 ENPP1 (0.48) 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 3 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-2020042995-A1 HIGHLY ACTIVE STING PROTEIN AGONIST COMPOUND 杭州阿诺生物医药科技有限公司 2020-03-05 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