SCHEMBL9688741

SCHEMBL9688741

CCOC1[C@@]2(O)[C@@H](COC(C)=O)O[C@@H](n3cnc4c(O)ncnc43)[C@@]12O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
HSP90B1 P14625 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
GAA P10253 1/20 0.37
AHCY P23526 5/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33

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
SCHEMBL6223066 0.85 PRKAB2 (0.39) ADORA2AADORA3HSP90B1PRKAB2PRKAG1
SCHEMBL9689709 0.78 ABCB1 (0.38) ADORA2AADORA3LMNA
SCHEMBL6223064 0.78 PRKAB2 (0.46) ADORA2AADORA3HSP90B1PRKAB2PRKAG1
SCHEMBL9689114 0.76 ADORA2A (0.36) ADORA2AADORA3RXFP1PI4KAPI4K2B
SCHEMBL6222357 0.74 ADORA2A (0.50) ADORA2AADORA3HSP90B1AHCYRXFP1
SCHEMBL9689115 0.73 ADORA3 (0.42) ADORA2AADORA3AHCY
SCHEMBL2955999 0.72 BCHE (0.42) ADORA3HSP90B1PRKAB2PRKAG1PRKAA2
SCHEMBL6221610 0.72 ADORA2A (0.47) ADORA2AADORA3PRKAB2PRKAG1PRKAA2
SCHEMBL25408738 0.72 ADORA2A (0.52) ADORA2AADORA3HSP90B1AHCYRXFP1
SCHEMBL9620171 0.72 ALDH1A1 (0.40) ADORA2APRKAB2PRKAG1PRKAA2PRKAA1

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
EP-0493602-A1 PROCESS FOR PRODUCING 2',3'-DIDEOXY-2',3'-DIDEHYDRONUCLEOSIDE YUKI GOSEI KOGYO CO., LTD. (JP) 1992-07-08 EP disclosed