SCHEMBL8905007

SCHEMBL8905007

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.67
PRKAG1 P54619 1/20 0.67
PRKAA2 P54646 1/20 0.67
PRKAA1 Q13131 1/20 0.67
PRKAG3 Q9UGI9 1/20 0.67
PRKAG2 Q9UGJ0 1/20 0.67
PRKAB1 Q9Y478 1/20 0.67
PRMT6 Q96LA8 1/20 0.64
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
P2RX3 P56373 1/20 0.50
P2RX4 Q99571 1/20 0.50
P2RX2 Q9UBL9 1/20 0.50
P2RY12 Q9H244 4/20 0.49
ACHE P22303 2/20 0.48
XDH P47989 1/20 0.47
P2RY2 P41231 1/20 0.46

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
SCHEMBL5982554 0.93 PRMT6 (0.62) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6515061 0.92 PRKAB2 (0.60) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22983997 0.88 P2RX3 (0.59) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8930112 0.88 PRKAB2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8930100 0.88 PRKAB2 (0.55) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27209464 0.88 PRKAB2 (0.70) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL29721489 0.88 PRKAB2 (0.70) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9565153 0.88 PRKAB2 (0.66) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6597278 0.87 P2RY12 (0.63) PRMT6ALDH1A1LMNAP2RX3P2RX4
SCHEMBL6597269 0.87 P2RY12 (0.63) PRMT6ALDH1A1LMNAP2RX3P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5698685-A Morpholino-subunit combinatorial library and method ANTIVIRALS INC. (US) 1997-12-16 US disclosed
US-5506337-A Morpholino-subunit combinatorial library and method ANTIVIRALS INC. (US) 1996-04-09 US disclosed