SCHEMBL9565153

SCHEMBL9565153

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Oc4ccccc4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.66
PRKAG1 P54619 1/20 0.66
PRKAA2 P54646 1/20 0.66
PRKAA1 Q13131 1/20 0.66
PRKAG3 Q9UGI9 1/20 0.66
PRKAG2 Q9UGJ0 1/20 0.66
PRKAB1 Q9Y478 1/20 0.66
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PRMT6 Q96LA8 1/20 0.52
ACHE P22303 2/20 0.48
P2RY12 Q9H244 5/20 0.46
BMPR1B O00238 1/20 0.45
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
P2RX3 P56373 1/20 0.44
P2RX4 Q99571 1/20 0.44

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
SCHEMBL8905007 0.88 PRKAB2 (0.67) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29721489 0.87 PRKAB2 (0.70) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27209464 0.87 PRKAB2 (0.70) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23982458 0.85 PRKAB2 (0.68) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20419031 0.85 PRKAB2 (0.68) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL10688239 0.84 PRKAB2 (0.67) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31685604 0.84 PRKAB2 (0.71) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5982554 0.82 PRMT6 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20626256 0.82 PRKAB2 (0.65) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20626260 0.82 PRKAB2 (0.65) 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
EP-0567841-A2 Fluorescently marked compounds, their preparation and use MERCK PATENT GmbH (DE) 1993-11-03 EP disclosed