SCHEMBL5767321

SCHEMBL5767321

CC(O)(C(=O)Nc1cccc2c1C(=O)c1cc(F)ccc1CS2(=O)=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 17/20 0.44
PDK2 Q15119 17/20 0.44
PDK3 Q15120 17/20 0.44
PDK4 Q16654 17/20 0.44
ABCC9 O60706 3/20 0.41
ABCC8 Q09428 3/20 0.41
KCNJ11 Q14654 3/20 0.41
KCNJ8 Q15842 3/20 0.41

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
SCHEMBL5765706 0.88 PDK1 (0.47) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5764157 0.85 PDK1 (0.47) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5766501 0.85 PDK1 (0.48) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5765963 0.85 PDK1 (0.44) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5766421 0.83 PDK1 (0.48) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5766901 0.82 PDK1 (0.51) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5766659 0.82 ABCC9 (0.48) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5765664 0.82 ABCC9 (0.46) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5766112 0.82 PDK1 (0.42) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5767047 0.82 PDK1 (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979821-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-09-13 EP disclosed
US-6211227-B1 SULFUR CONTAINING TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-03 US disclosed
EP-0979821-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-02-16 EP disclosed