SCHEMBL4657256

SCHEMBL4657256

CC1CN(S(=O)(=O)c2ccc(F)cc2)C(C)CN1C(=O)[C@@](C)(O)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.55
PDK1 Q15118 2/20 0.55
PDK3 Q15120 2/20 0.55
PDK4 Q16654 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.46
HSD11B1 P28845 2/20 0.44

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
SCHEMBL4625119 1.00 PDK2 (0.55) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL4625122 1.00 PDK2 (0.55) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL4626461 0.89 PDK2 (0.54) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL4626464 0.89 PDK2 (0.54) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL4624785 0.88 PDK2 (0.56) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL4626767 0.88 PDK2 (0.56) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL4624781 0.88 PDK2 (0.56) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL4626718 0.88 PDK2 (0.54) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL4626722 0.88 PDK2 (0.54) PDK2PDK1PDK3PDK4L3MBTL1
SCHEMBL4626762 0.88 PDK2 (0.56) PDK2PDK1PDK3PDK4L3MBTL1

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-1214287-B1 AMIDES AS INHIBITORS FOR PYRUVATE DEHYDROGENASE ASTRAZENECA AB (SE) 2008-07-02 EP claimed