SCHEMBL29496348

SCHEMBL29496348

CC(O)Cn1cnc2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 1.00
ADORA1 P30542 6/20 1.00
AHCY P23526 7/20 0.71
ALDH1A1 P00352 1/20 0.68
PI4KA P42356 3/20 0.64
PI4K2B Q8TCG2 3/20 0.64
PI4K2A Q9BTU6 3/20 0.64
PI4KB Q9UBF8 3/20 0.64
CYP3A4 P08684 1/20 0.61
ADORA2B P29275 3/20 0.60

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
SCHEMBL1393316 1.00 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL5810639 1.00 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL904363 1.00 ADORA2A (1.00) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL28855667 0.98 ADORA2A (0.97) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL16603993 0.87 AHCY (0.85) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL12620928 0.87 ADORA2A (0.77) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL8815696 0.86 ADORA2A (0.75) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL6040056 0.86 ADORA2A (0.75) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL25861 0.86 ADORA2A (0.75) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL16504492 0.85 ADORA2A (0.74) ADORA2AADORA1AHCYALDH1A1PI4KA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116731988-B Total synthesis ketoreductase and preparation method using same 重庆普佑生物医药有限公司 2024-04-05 CN claimed
CN-114574454-B Short-chain dehydrogenase, mutant and application thereof 沈阳药科大学 2023-11-17 CN claimed
CN-112626144-B Biosynthesis method of tenofovir intermediate (R) -9- (2-hydroxypropyl) adenine 江苏阿尔法药业股份有限公司 2023-03-17 CN claimed
CN-110530997-B Method for detecting 9- (2-hydroxypropyl) adenine enantiomer 湖北丽益医药科技有限公司 2022-04-08 CN claimed
CN-116332934-B Tenofovir intermediate Synthesis process of intermediate 江苏阿尔法药业股份有限公司 2025-08-26 CN disclosed
CN-120483983-A Preparation method of tenofovir intermediate R- (+) -9- (2-hydroxypropyl) adenine 乐平市赛复乐医药化工有限公司 2025-08-15 CN disclosed
CN-120483983-A Preparation method of tenofovir intermediate R- (+) -9- (2-hydroxypropyl) adenine 乐平市赛复乐医药化工有限公司 2025-08-15 CN disclosed
CN-116731988-B Total synthesis ketoreductase and preparation method using same 重庆普佑生物医药有限公司 2024-04-05 CN disclosed
CN-116731988-B Total synthesis ketoreductase and preparation method using same 重庆普佑生物医药有限公司 2024-04-05 CN disclosed
CN-114574454-B Short-chain dehydrogenase, mutant and application thereof 沈阳药科大学 2023-11-17 CN disclosed
CN-116854735-A Synthesis method of tenofovir 广西奕安泰药业有限公司 2023-10-10 CN disclosed
CN-116731988-A Total synthesis ketoreductase and preparation method using same 重庆普佑生物医药有限公司 2023-09-12 CN disclosed
CN-116332934-A Synthesis process of tenofovir intermediate 江苏阿尔法药业股份有限公司 2023-06-27 CN disclosed
CN-112626144-B Biosynthesis method of tenofovir intermediate (R) -9- (2-hydroxypropyl) adenine 江苏阿尔法药业股份有限公司 2023-03-17 CN disclosed
CN-112626144-B Biosynthesis method of tenofovir intermediate (R) -9- (2-hydroxypropyl) adenine 江苏阿尔法药业股份有限公司 2023-03-17 CN disclosed
CN-112626144-B Biosynthesis method of tenofovir intermediate (R) -9- (2-hydroxypropyl) adenine 江苏阿尔法药业股份有限公司 2023-03-17 CN disclosed
CN-114574454-A Short-chain dehydrogenase and mutant and application thereof 沈阳药科大学 2022-06-03 CN disclosed
CN-110530997-B Method for detecting 9- (2-hydroxypropyl) adenine enantiomer 湖北丽益医药科技有限公司 2022-04-08 CN disclosed
CN-110530997-B Method for detecting 9- (2-hydroxypropyl) adenine enantiomer 湖北丽益医药科技有限公司 2022-04-08 CN disclosed
CN-110530997-B Method for detecting 9- (2-hydroxypropyl) adenine enantiomer 湖北丽益医药科技有限公司 2022-04-08 CN disclosed