SCHEMBL30166053

SCHEMBL30166053

COc1cccc(C(=O)c2ncnc3c2ncn3[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.60
▸ PRKAG1 P54619 1/20 0.60
▸ PRKAA2 P54646 1/20 0.60
▸ PRKAA1 Q13131 1/20 0.60
▸ PRKAG3 Q9UGI9 1/20 0.60
▸ PRKAG2 Q9UGJ0 1/20 0.60
▸ PRKAB1 Q9Y478 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA2 P00918 1/20 0.44
▸ P2RX3 P56373 1/20 0.43
▸ P2RX4 Q99571 1/20 0.43
▸ P2RX2 Q9UBL9 1/20 0.43
▸ GAPDH P04406 2/20 0.42

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
SCHEMBL28929294 1.00 PRKAB2 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28929104 0.92 PRKAB2 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28929091 0.90 PRKAB2 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30166048 0.90 PRKAB2 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28929299 0.90 PRKAG1 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30166049 0.90 PRKAB2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL30166036 0.90 PRKAB2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28929106 0.90 PRKAB2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28962260 0.90 PRKAB2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL28929288 0.90 PRKAB2 (0.61) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
CN-115583950-A Method for modifying purine Compounds and 6-position acylpurine Compounds 鲁东大学 2023-01-10 — — CN disclosed
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