SCHEMBL5764585

SCHEMBL5764585

C[C@@](O)(C(=O)Nc1cccc2c1C(=O)c1sccc1CS2)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 19/20 0.44
PDK2 Q15119 19/20 0.44
PDK3 Q15120 19/20 0.44
PDK4 Q16654 19/20 0.44
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37

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
SCHEMBL5764100 1.00 PDK1 (0.44) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5766316 1.00 PDK1 (0.44) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL13141672 0.87 CCNE2 (0.31)
SCHEMBL7833134 0.84 PDK1 (0.45) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7829272 0.84 PDK1 (0.46) PDK1PDK2PDK3PDK4
SCHEMBL7835701 0.83 PDK1 (0.48) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL5766893 0.82 CCNE2 (0.43)
SCHEMBL3621875 0.82 METAP1 (0.41)
SCHEMBL7834669 0.81 PDK1 (0.43) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL7820592 0.81 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