SCHEMBL21766530

SCHEMBL21766530

CCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C#N)cc3c2n1[C@@H](C)CCO3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 7/20 0.34
ENPP1 P22413 1/20 0.34
ABL1 P00519 1/20 0.34
GPR6 P46095 1/20 0.32
SLC2A1 P11166 1/20 0.32
SLC2A3 P11169 1/20 0.32
SLC2A4 P14672 1/20 0.32
RPS6KA2 Q15349 1/20 0.31
RPS6KA3 P51812 3/20 0.31
ITK Q08881 3/20 0.31
MAP4K4 O95819 2/20 0.31
CHEK2 O96017 2/20 0.31
PRKCG P05129 2/20 0.31
PHKG2 P15735 2/20 0.31
MARK3 P27448 2/20 0.31
CSNK1A1 P48729 2/20 0.31
CSNK1D P48730 2/20 0.31
CLK2 P49760 2/20 0.31
IRAK1 P51617 2/20 0.31
NEK4 P51957 2/20 0.31

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
SCHEMBL21766431 0.87 ENPP1 (0.33) STING1ENPP1GPR6SLC2A1SLC2A3
SCHEMBL21753580 0.87 STING1 (0.41) STING1
SCHEMBL21766434 0.85 ENPP1 (0.33) STING1ENPP1GPR6SLC2A1SLC2A3
SCHEMBL21766535 0.79 STING1 (0.33) STING1ENPP1SLC2A1SLC2A3SLC2A4
SCHEMBL21766301 0.78 ENPP1 (0.48) STING1ENPP1
SCHEMBL21766501 0.78 ENPP1 (0.32) STING1ENPP1SLC2A1SLC2A3SLC2A4
SCHEMBL23585744 0.74 ABL1 (0.33) ABL1
SCHEMBL21753416 0.73 STING1 (0.42) STING1
SCHEMBL21766335 0.73 ENPP1 (0.48) STING1ENPP1
SCHEMBL21766463 0.72 STING1 (0.39) STING1ENPP1SLC2A1SLC2A3SLC2A4

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