SCHEMBL4609245

SCHEMBL4609245

C[C@@](O)(C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1Cl)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 19/20 0.66
PDK2 Q15119 19/20 0.66
PDK3 Q15120 19/20 0.66
PDK4 Q16654 19/20 0.66
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL4609247 1.00 PDK1 (0.66) PDK1PDK2PDK3PDK4MEN1
SCHEMBL4610541 0.92 PDK1 (0.64) PDK1PDK2PDK3PDK4
SCHEMBL4610543 0.92 PDK1 (0.64) PDK1PDK2PDK3PDK4
SCHEMBL6568974 0.88 PDK1 (0.58) PDK1PDK2PDK3PDK4MEN1
SCHEMBL6568972 0.88 PDK1 (0.58) PDK1PDK2PDK3PDK4MEN1
SCHEMBL6569621 0.87 PDK1 (0.81) PDK1PDK2PDK3PDK4
SCHEMBL4610006 0.87 PDK1 (0.81) PDK1PDK2PDK3PDK4
SCHEMBL4608061 0.86 PDK1 (0.65) PDK1PDK2PDK3PDK4
SCHEMBL6571247 0.86 PDK1 (0.64) PDK1PDK2PDK3PDK4
SCHEMBL6571242 0.86 PDK1 (0.64) PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
CN-1303281-A Application of compound in enhancing activity of pyruvate dehydrogenase ASTRA ZENECA LTD (SE) 2001-07-11 CN disclosed