SCHEMBL31662477

SCHEMBL31662477

COC(=O)c1cc2cnn(C)c2cc1Oc1ccc(OCCCN2CCOCC2=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
PDK2 Q15119 1/20 0.39
MET P08581 9/20 0.35
SCN9A Q15858 1/20 0.34
AOC2 O75106 1/20 0.34
DRD4 P21917 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KDR P35968 2/20 0.34
AXL P30530 2/20 0.34
PLK4 O00444 1/20 0.34
NTRK1 P04629 1/20 0.34
RET P07949 1/20 0.34
FLT3 P36888 1/20 0.34
MST1R Q04912 1/20 0.34

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
SCHEMBL31662469 0.92 PRKAB2 (0.45) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31662065 0.92 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31662265 0.83 SCN9A (0.40) METSCN9AKDRAXLPLK4
SCHEMBL31662264 0.83 SCN9A (0.40) METSCN9AKDRAXLPLK4
SCHEMBL31662061 0.82 PRKAB2 (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31661868 0.81 PDK2 (0.38) PDK2METSCN9ADRD4SIGMAR1
SCHEMBL31662181 0.80 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31662023 0.80 PDK2 (0.42) PDK2EGFR
SCHEMBL31662241 0.79 PDK2 (0.38) PDK2METSCN9ADRD4SIGMAR1
SCHEMBL31662183 0.78 SCN9A (0.39) PDK2METSCN9ADRD4SIGMAR1

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
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed