SCHEMBL2552207

SCHEMBL2552207

CC(C)(C)OC(=O)NCc1ccc(-c2[c]ccc3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.49

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
SCHEMBL15092293 0.83 NEK1 (0.71) NEK1
SCHEMBL2546428 0.81 NEK1 (0.72) NEK1
SCHEMBL15092614 0.80 NEK1 (0.64) NEK1
SCHEMBL2547061 0.77 NEK1 (0.58) NEK1
SCHEMBL2550312 0.77 NEK1 (0.61) NEK1
SCHEMBL2553290 0.75 NEK1 (0.63) NEK1
SCHEMBL2551178 0.74 NEK1 (0.60) NEK1
SCHEMBL2550991 0.74 NEK1 (0.67) NEK1
SCHEMBL15092799 0.74 NEK1 (0.59) NEK1
SCHEMBL15092529 0.74 NEK1 (0.57) 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 2 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 disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed