SCHEMBL8949392

SCHEMBL8949392

CC(C)CS[C@@]1(n2cnc3c(N)ncnc32)O[C@H](C)[C@@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
GMPS P49915 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AHCY P23526 6/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
SLC28A1 O00337 1/20 0.41
ADORA1 P30542 1/20 0.40
PI4KA P42356 2/20 0.40
PI4K2B Q8TCG2 2/20 0.40
PI4K2A Q9BTU6 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
DOT1L Q8TEK3 1/20 0.40
NADK O95544 1/20 0.39

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
SCHEMBL9495963 0.88 PI4KA (0.46) ADORA2AGMPSADORA3AHCYSLC28A1
SCHEMBL934614 0.85 ADORA3 (0.47) ADORA2AGMPSADORA3AHCYTAS1R3
SCHEMBL30216733 0.84 EHMT1 (0.45) ADORA2AGMPSADORA3AHCYTAS1R3
SCHEMBL8677295 0.77 ADORA2A (0.48) ADORA2AGMPSADORA3AHCYSLC28A1
SCHEMBL30139991 0.77 ADORA2A (0.48) ADORA2AGMPSADORA3AHCYSLC28A1
SCHEMBL998090 0.76 PI4KA (0.48) ADORA2AGMPSADORA3AHCYSLC28A1
SCHEMBL4751168 0.75 ADORA2A (0.46) ADORA2AGMPSADORA3AHCYSLC28A1
SCHEMBL4830361 0.75 ADORA2A (0.46) ADORA2AGMPSADORA3AHCYTAS1R3
SCHEMBL6650344 0.75 ADORA2A (0.46) ADORA2AGMPSADORA3AHCYSLC28A1
SCHEMBL6935380 0.75 PI4KA (0.48) ADORA2AGMPSADORA3AHCYSLC28A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115697351-A Pharmaceutical composition for chemical inhibition of TGS1 as a treatment method for telomerase 罗马大学 2023-02-03 CN claimed
US-4948783-A ORALLY ADMINISTERING ADENOSINE OR DERIVATIVE KABUSHIKI KAISYA ADVANCE KAIHATSU KENKYUJO (JP) 1990-08-14 US claimed
JP-8183737-A None JP disclosed
JP-H08183737-A ALCOHOL ABSORPTION INHIBITOR ADVANCE CO LTD 1996-07-16 JP disclosed
EP-0191561-B1 ANTICARIOGENIC OR ANTIPERIODONTITIC AGENT KABUSHIKI KAISYA ADVANCE (JP) 1992-07-15 EP disclosed
US-4948783-A ORALLY ADMINISTERING ADENOSINE OR DERIVATIVE KABUSHIKI KAISYA ADVANCE KAIHATSU KENKYUJO (JP) 1990-08-14 US disclosed
EP-0191561-A2 Anticariogenic or antiperiodontitic agent KABUSHIKI KAISYA ADVANCE (JP) 1986-08-20 EP disclosed