SCHEMBL4608656

SCHEMBL4608656

CC(O)(C(=O)Nc1ccc(Sc2nccs2)cc1Cl)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 20/20 0.56
PDK2 Q15119 20/20 0.56
PDK3 Q15120 20/20 0.56
PDK4 Q16654 20/20 0.56

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
SCHEMBL4608652 1.00 PDK1 (0.56) PDK1PDK2PDK3PDK4
SCHEMBL4610005 0.83 PDK1 (0.60) PDK1PDK2PDK3PDK4
SCHEMBL4610009 0.83 PDK1 (0.60) PDK1PDK2PDK3PDK4
SCHEMBL4607976 0.81 PDK1 (0.62) PDK1PDK2PDK3PDK4
SCHEMBL4607973 0.81 PDK1 (0.62) PDK1PDK2PDK3PDK4
SCHEMBL6568194 0.81 PDK1 (0.56) PDK1PDK2PDK3PDK4
SCHEMBL6568197 0.81 PDK1 (0.56) PDK1PDK2PDK3PDK4
SCHEMBL4609523 0.81 PDK1 (0.58) PDK1PDK2PDK3PDK4
SCHEMBL4609529 0.81 PDK1 (0.58) PDK1PDK2PDK3PDK4
SCHEMBL6568174 0.80 PDK1 (0.67) 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 5 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
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 US disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 WO disclosed