SCHEMBL6571032

SCHEMBL6571032

CC(C)Sc1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 20/20 0.66
PDK2 Q15119 20/20 0.66
PDK3 Q15120 20/20 0.66
PDK4 Q16654 20/20 0.66

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
SCHEMBL27529558 1.00 PDK1 (0.66) PDK1PDK2PDK3PDK4
SCHEMBL6570056 0.88 PDK1 (0.60) PDK1PDK2PDK3PDK4
SCHEMBL6568786 0.87 PDK1 (0.67) PDK1PDK2PDK3PDK4
SCHEMBL6569864 0.86 PDK1 (0.71) PDK1PDK2PDK3PDK4
SCHEMBL4610172 0.86 PDK1 (0.71) PDK1PDK2PDK3PDK4
SCHEMBL6569799 0.85 PDK1 (0.69) PDK1PDK2PDK3PDK4
SCHEMBL6569805 0.85 PDK1 (0.69) PDK1PDK2PDK3PDK4
SCHEMBL6348582 0.84 PDK1 (0.62) PDK1PDK2PDK3PDK4
SCHEMBL6569487 0.84 PDK1 (0.62) PDK1PDK2PDK3PDK4
SCHEMBL6568104 0.84 PDK1 (0.62) 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 2 patents. 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
CN-1303281-A Application of compound in enhancing activity of pyruvate dehydrogenase ASTRA ZENECA LTD (SE) 2001-07-11 CN disclosed