SCHEMBL21766475

SCHEMBL21766475

CCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc3c2n1CC(C)(C)CN3CCCOC

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.48
ENPP1 P22413 1/20 0.43
TBK1 Q9UHD2 1/20 0.40

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
SCHEMBL21766464 0.95 STING1 (0.46) STING1ENPP1TBK1
SCHEMBL21766480 0.91 ENPP1 (0.45) STING1ENPP1TBK1
SCHEMBL21766458 0.91 ENPP1 (0.48) STING1ENPP1TBK1
SCHEMBL21766212 0.88 ENPP1 (0.48) STING1ENPP1TBK1
SCHEMBL21766345 0.87 STING1 (0.56) STING1TBK1
SCHEMBL21766356 0.87 STING1 (0.44) STING1ENPP1
SCHEMBL21753371 0.83 STING1 (0.57) STING1ENPP1TBK1
SCHEMBL21766196 0.82 ENPP1 (0.43) STING1ENPP1
SCHEMBL21766143 0.80 STING1 (0.55) STING1TBK1
SCHEMBL23585782 0.80 ENPP1 (0.48) 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