SCHEMBL4944751

SCHEMBL4944751

C=CCOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 4/20 0.69
ADORA1 P30542 3/20 0.68
ADORA3 P0DMS8 2/20 0.68
ADORA2A P29274 2/20 0.68
ADORA2B P29275 2/20 0.68
SMN1; SMN2 Q16637 3/20 0.67
DPP4 P27487 1/20 0.67
MEN1 O00255 1/20 0.67
SLC28A1 O00337 1/20 0.67
MAP3K7 O43318 1/20 0.67
SLC28A2 O43868 1/20 0.67
GAPDH P04406 1/20 0.67
MAPK1 P28482 1/20 0.67
STAT6 P42226 1/20 0.67
PI4KA P42356 1/20 0.67
KMT2A Q03164 1/20 0.67
PI4K2B Q8TCG2 1/20 0.67
DOT1L Q8TEK3 1/20 0.67
SLC29A1 Q99808 1/20 0.67
PI4K2A Q9BTU6 1/20 0.67

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
SCHEMBL8003533 0.90 ADORA1 (0.71) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL8328542 0.88 ADORA1 (0.74) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL1934658 0.87 AHCY (0.72) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL3302567 0.87 ADORA1 (0.65) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL4916792 0.87 ADORA1 (0.65) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL3306997 0.86 ADORA1 (0.66) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL873362 0.86 ADORA3 (0.72) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL3698839 0.86 ADORA3 (0.72) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL2793634 0.85 ADORA1 (0.67) AHCYADORA1ADORA3ADORA2AADORA2B
SCHEMBL2270709 0.85 ADORA1 (0.73) AHCYADORA1ADORA3ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685684-A Compositions and methods for treating type 1a glycogen storage disease 比姆医疗股份有限公司 2023-09-01 CN disclosed
WO-2023114963-A1 COMPOSITIONS AND METHODS FOR SELECTIVELY LABELING SECONDARY AMINES EMORY UNIVERSITY (US) 2023-06-22 WO disclosed
CN-115279398-A Compositions and methods for treating liquid cancers 比姆医疗股份有限公司 2022-11-01 CN disclosed
CN-114641567-A Compositions and methods for editing mutations to allow transcription or expression 比姆医疗股份有限公司 2022-06-17 CN disclosed
CN-114096666-A Compositions and methods for treating heme disorders 比姆医疗股份有限公司 2022-02-25 CN disclosed
CN-114072509-A Nucleobase editor with reduced off-target of deamination and method of modifying nucleobase target sequence using same 比姆医疗股份有限公司 2022-02-18 CN disclosed
CN-114040970-A Methods of editing disease-associated genes using adenosine deaminase base editor, including treatment of genetic diseases 比姆医疗股份有限公司 2022-02-11 CN disclosed
CN-110214183-A Adenosine nucleobase editing machine and application thereof 哈佛大学的校长及成员们 2019-09-06 CN disclosed
CN-109952297-A Compound 奥斯陆大学 2019-06-28 CN disclosed
US-20080168707-A1 Additive for hydrocarbon fuel and related processes consisting of compounds of adenosine phosphates ENVIROFUELS LLC (US) 2008-07-17 US disclosed
WO-2007136548-A2 ADDITIVE FOR HYDROCARBON FUEL AND RELATED PROCESSES CONSISTING OF COMPOUNDS OF ADENOSINE PHOSPHATES ENVIROFUELS, LLC (US) 2007-11-29 WO disclosed
CN-1032815-C Selective adenosine receptor agents MERRELL DOW PHARMA (US) 1996-09-18 CN disclosed
CN-1055181-A SELECTIVE ADENOSINE RECEPTOR AGENTS MERRELL DOW PHARMA (US) 1991-10-09 CN disclosed
US-4992535-A Cardiovascular disorders; side effect reduction G. D. SEARLE & CO. (US) 1991-02-12 US disclosed