SCHEMBL2548644

SCHEMBL2548644

COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CCS(=O)(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.63

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
SCHEMBL2547314 0.90 NEK1 (0.65) NEK1
SCHEMBL2544800 0.86 NEK1 (0.76) NEK1
SCHEMBL2575462 0.85 NEK1 (0.66) NEK1
SCHEMBL2547334 0.85 NEK1 (0.77) NEK1
SCHEMBL2546332 0.85 NEK1 (0.70) NEK1
SCHEMBL15092412 0.85 NEK1 (0.67) NEK1
SCHEMBL2550057 0.84 NEK1 (0.65) NEK1
SCHEMBL2551430 0.84 NEK1 (0.78) NEK1
SCHEMBL2546649 0.84 NEK1 (0.64) NEK1
SCHEMBL2550269 0.83 NEK1 (0.65) NEK1

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-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP claimed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO claimed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed