SCHEMBL4627646

SCHEMBL4627646

C[C@@H]1CN(C(=O)C(C)(O)C(F)(F)F)[C@H](C)CN1C(=O)c1ccc(C(=O)N(C)C)cc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 9/20 0.71
PDK1 Q15118 3/20 0.71
PDK3 Q15120 3/20 0.71
PDK4 Q16654 3/20 0.71

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
SCHEMBL4627641 1.00 PDK2 (0.71) PDK2PDK1PDK3PDK4
SCHEMBL4626163 0.89 PDK2 (0.69) PDK2PDK1PDK3PDK4
SCHEMBL4626158 0.89 PDK2 (0.69) PDK2PDK1PDK3PDK4
SCHEMBL4627915 0.87 PDK2 (0.74) PDK2PDK1PDK3PDK4
SCHEMBL4627918 0.87 PDK2 (0.74) PDK2PDK1PDK3PDK4
SCHEMBL4627212 0.86 PDK2 (0.72) PDK2PDK1PDK3PDK4
SCHEMBL4627214 0.86 PDK2 (0.72) PDK2PDK1PDK3PDK4
SCHEMBL4626685 0.84 PDK2 (0.69) PDK2PDK1PDK3PDK4
SCHEMBL4626688 0.84 PDK2 (0.69) PDK2PDK1PDK3PDK4
SCHEMBL4625100 0.84 PDK2 (0.52) PDK2PDK1PDK3PDK4

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 disclosed