SCHEMBL6561098

SCHEMBL6561098

Cc1c(NC(=O)[C@@](C)(O)C(F)(F)F)ccc(I)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 20/20 0.58
PDK2 Q15119 20/20 0.58
PDK3 Q15120 20/20 0.58
PDK4 Q16654 20/20 0.58

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
SCHEMBL6561105 1.00 PDK1 (0.58) PDK1PDK2PDK3PDK4
SCHEMBL6561190 0.90 PDK1 (0.63) PDK1PDK2PDK3PDK4
SCHEMBL6561199 0.90 PDK1 (0.63) PDK1PDK2PDK3PDK4
SCHEMBL5710321 0.86 PDK1 (0.74) PDK1PDK2PDK3PDK4
SCHEMBL6562160 0.86 PDK1 (0.55) PDK1PDK2PDK3PDK4
SCHEMBL6562155 0.86 PDK1 (0.55) PDK1PDK2PDK3PDK4
SCHEMBL5710316 0.86 PDK1 (0.74) PDK1PDK2PDK3PDK4
SCHEMBL6564240 0.84 PDK1 (0.56) PDK1PDK2PDK3PDK4
SCHEMBL6564245 0.84 PDK1 (0.56) PDK1PDK2PDK3PDK4
SCHEMBL6561012 0.79 PDK1 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214296-B1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2004-03-24 EP disclosed
US-6689909-B1 TREATMENT OF DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF DIABETES MELLITUS, PERIPHERAL VASCULAR DISEASE AND MYOCARDIAL ISCHAEMIA ASTRAZENECA AB (SE) 2004-02-10 US disclosed
EP-1214296-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2002-06-19 EP disclosed
WO-2001017956-A1 SUBSTITUTED N-PHENYL 2-HYDROXY-2-METHYL-3,3,3-TRIFLUOROPROPANAMIDE DERIVATIVES WHICH ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2001-03-15 WO disclosed