SCHEMBL6570177

SCHEMBL6570177

CCOC(=O)c1c[nH]c(Sc2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 20/20 0.48
PDK2 Q15119 20/20 0.48
PDK3 Q15120 20/20 0.48
PDK4 Q16654 20/20 0.48

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
SCHEMBL6568948 0.81 PDK1 (0.61) PDK1PDK2PDK3PDK4
SCHEMBL6568952 0.81 PDK1 (0.61) PDK1PDK2PDK3PDK4
SCHEMBL6569668 0.80 PDK1 (0.55) PDK1PDK2PDK3PDK4
SCHEMBL6355920 0.79 PDK1 (0.53) PDK1PDK2PDK3PDK4
SCHEMBL6355924 0.79 PDK1 (0.53) PDK1PDK2PDK3PDK4
SCHEMBL6570081 0.78 PDK1 (0.52) PDK1PDK2PDK3PDK4
SCHEMBL6570082 0.78 PDK1 (0.52) PDK1PDK2PDK3PDK4
SCHEMBL27533422 0.77 PDK1 (0.48) PDK1PDK2PDK3PDK4
SCHEMBL27533425 0.77 PDK1 (0.48) PDK1PDK2PDK3PDK4
SCHEMBL4609985 0.77 PDK1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082110-B1 USE OF COMPOUNDS FOR THE ELEVATION OF PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed