SCHEMBL21766463

SCHEMBL21766463

CCn1nc(C)c(F)c1C(=O)Nc1nc2cc(C#N)cc(I)c2n1CCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 11/20 0.39
ENPP1 P22413 1/20 0.39
ITK Q08881 5/20 0.37
ADORA2A P29274 1/20 0.35
TBK1 Q9UHD2 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
MAP4K4 O95819 1/20 0.34
CHEK2 O96017 1/20 0.34
PRKCG P05129 1/20 0.34
PHKG2 P15735 1/20 0.34
MARK3 P27448 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CLK2 P49760 1/20 0.34
IRAK1 P51617 1/20 0.34
RPS6KA3 P51812 1/20 0.34
NEK4 P51957 1/20 0.34
CSNK1G2 P78368 1/20 0.34
MAP4K2 Q12851 1/20 0.34
PRKAA1 Q13131 1/20 0.34

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
SCHEMBL21766191 0.92 STING1 (0.40) STING1ENPP1ITK
SCHEMBL21766188 0.85 STING1 (0.38) STING1ENPP1ITKADORA2AIRAK4
SCHEMBL21766500 0.84 ENPP1 (0.36) STING1ENPP1ITKIRAK4MAP4K4
SCHEMBL23585761 0.78 STING1 (0.48) STING1TBK1
SCHEMBL23585751 0.75 TTR (0.36) ITKADORA2A
SCHEMBL21766431 0.73 ENPP1 (0.33) STING1ENPP1SLC2A1SLC2A3SLC2A4
SCHEMBL21766530 0.72 STING1 (0.34) STING1ENPP1ITKIRAK4MAP4K4
SCHEMBL21766449 0.72 ENPP1 (0.34) STING1ENPP1ITKIRAK4MAP4K4
SCHEMBL21766434 0.71 ENPP1 (0.33) STING1ENPP1ITKSLC2A1SLC2A3
SCHEMBL21766351 0.71 ENPP1 (0.53) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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