SCHEMBL28113155

SCHEMBL28113155

Nc1ncnc2c1ncn2OC(=O)CCC(=O)On1cnc2c(N)ncnc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
ADCY5 O95622 5/20 0.48
ALDH1A1 P00352 1/20 0.48
ADORA2A P29274 7/20 0.48
ADORA1 P30542 5/20 0.48
PI4KA P42356 1/20 0.46
PI4K2B Q8TCG2 1/20 0.46
PI4K2A Q9BTU6 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
EGFR P00533 1/20 0.46
ADORA2B P29275 1/20 0.44
FGFR1 P11362 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
AHCY P23526 3/20 0.43

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
SCHEMBL28145519 0.92 ADORA2A (0.50) GSK3BADCY5ALDH1A1ADORA2AADORA1
Sulfuric Acid SCHEMBL10790466 0.85 GSK3B (0.46) GSK3BADCY5ALDH1A1ADORA2AADORA1
SCHEMBL15297006 0.85 ADCY5 (0.47) GSK3BADCY5ALDH1A1ADORA2AADORA1
SCHEMBL14125909 0.83 ADORA2A (0.51) GSK3BALDH1A1ADORA2AADORA1PI4KA
SCHEMBL28406876 0.82 ADORA2A (0.50) GSK3BALDH1A1ADORA2AADORA1PI4KA
SCHEMBL16485904 0.82 GSK3B (0.48) GSK3BALDH1A1ADORA2AADORA1PI4KA
SCHEMBL28086747 0.79 ADORA2A (0.48) GSK3BADCY5ALDH1A1ADORA2AADORA1
SCHEMBL28406873 0.77 ADORA2A (0.50) GSK3BALDH1A1ADORA2AADORA1PI4KA
SCHEMBL385843 0.77 ADORA2A (0.55) GSK3BADORA2AADORA1PI4KAPI4K2B
SCHEMBL1577868 0.76 ADORA2A (0.46) GSK3BALDH1A1ADORA2AADORA1PI4KA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106146561-A A kind of synthetic method of tenofovir 浙江九洲药业股份有限公司 2016-11-23 CN claimed
CN-107737335-B Microbubble complexes and methods of use 通用电气公司 2023-08-29 CN disclosed
CN-114617868-A NRF2 activating compounds and uses thereof 参宿七制药股份有限公司 2022-06-14 CN disclosed
CN-108699011-B NRF2 activating compounds and uses thereof 参宿七制药股份有限公司 2022-05-06 CN disclosed
CN-106573901-B Fumarate analogues and their use in the treatment of autoimmune or inflammatory diseases 参宿七制药股份有限公司 2021-03-02 CN disclosed
CN-108699034-B NRF2 activating compounds and uses thereof 参宿七制药股份有限公司 2020-12-11 CN disclosed
CN-112004808-A Prodrugs of NRF 2-activating compounds and uses thereof 参宿七制药股份有限公司 2020-11-27 CN disclosed
CN-106146561-A A kind of synthetic method of tenofovir 浙江九洲药业股份有限公司 2016-11-23 CN disclosed