SCHEMBL21766301

SCHEMBL21766301

CCn1nc(C)cc1C(=O)Nc1nc2cc(C#N)cc3c2n1[C@@H](C)CO3

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.48
STING1 Q86WV6 19/20 0.46
TBK1 Q9UHD2 1/20 0.41

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
SCHEMBL21766335 0.91 ENPP1 (0.48) ENPP1STING1TBK1
SCHEMBL21766514 0.89 ENPP1 (0.46) ENPP1STING1TBK1
SCHEMBL21766423 0.89 ENPP1 (0.46) ENPP1STING1TBK1
SCHEMBL21766354 0.88 ENPP1 (0.47) ENPP1STING1TBK1
SCHEMBL21766442 0.88 ENPP1 (0.47) ENPP1STING1TBK1
SCHEMBL23566944 0.86 ENPP1 (0.44) ENPP1STING1
SCHEMBL21790360 0.86 STING1 (0.46) ENPP1STING1TBK1
SCHEMBL21790027 0.86 STING1 (0.45) ENPP1STING1TBK1
SCHEMBL21766518 0.86 ENPP1 (0.47) ENPP1STING1
SCHEMBL23585671 0.85 STING1 (0.58) 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