SCHEMBL7833658

SCHEMBL7833658

CC(O)(C(=O)Nc1ccc2c(=O)c3sccc3ccc2c1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 13/20 0.46
PDK2 Q15119 13/20 0.46
PDK3 Q15120 13/20 0.46
PDK4 Q16654 13/20 0.46
ABCC9 O60706 10/20 0.45
ABCC8 Q09428 10/20 0.45
KCNJ11 Q14654 10/20 0.45
KCNJ8 Q15842 10/20 0.45
ABCB11 O95342 1/20 0.45

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
SCHEMBL7835045 0.93 PDK1 (0.48) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7830341 0.81 PDK1 (0.56) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7833250 0.80 KDM4E (0.44)
SCHEMBL7832273 0.77 PDK1 (0.46) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7834657 0.77 PDK1 (0.57) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7821095 0.75 PDK1 (0.48) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7830042 0.69 MET (0.56) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7833845 0.67 PDK1 (0.47) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7512834 0.67 PDK1 (0.69) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7833594 0.66 ABCC9 (0.45) PDK1PDK2PDK3PDK4ABCC9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798288-B1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2001-05-16 EP disclosed
EP-0798288-A1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-01 EP disclosed