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SCHEMBL6570094

SCHEMBL6570094

CC(O)(C(=O)Nc1ccc(Sc2ccccc2F)cc1Cl)C(F)(F)F.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 17/20 0.53
▸ PDK2 Q15119 17/20 0.53
▸ PDK3 Q15120 17/20 0.53
▸ PDK4 Q16654 17/20 0.53
▸ NR1H2 P55055 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47
▸ ABCC9 O60706 1/20 0.46
▸ ABCC8 Q09428 1/20 0.46
▸ KCNJ11 Q14654 1/20 0.46
▸ KCNJ8 Q15842 1/20 0.46
▸ PTGES2 Q9H7Z7 1/20 0.46

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
SCHEMBL6351258 1.00 PDK1 (0.53) PDK1PDK2PDK3PDK4NR1H2
SCHEMBL4610074 0.92 PDK1 (0.59) PDK1PDK2PDK3PDK4NR1H2
SCHEMBL4610068 0.92 PDK1 (0.59) PDK1PDK2PDK3PDK4NR1H2
SCHEMBL4608248 0.88 PDK1 (0.51) PDK1PDK2PDK3PDK4NR1H2
SCHEMBL4610070 0.83 PDK1 (0.64) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL4610064 0.83 PDK1 (0.64) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6568811 0.82 PDK1 (0.60) PDK1PDK2PDK3PDK4NR1H2
SCHEMBL6568820 0.82 PDK1 (0.60) PDK1PDK2PDK3PDK4NR1H2
SCHEMBL4608072 0.82 PDK1 (0.59) PDK1PDK2PDK3PDK4NR1H2
SCHEMBL6568776 0.82 PDK1 (0.59) PDK1PDK2PDK3PDK4NR1H2

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