SCHEMBL2552464

SCHEMBL2552464

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

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.61

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
SCHEMBL2552067 0.91 NEK1 (0.58) NEK1
SCHEMBL2551120 0.91 NEK1 (0.61) NEK1
SCHEMBL2551955 0.91 NEK1 (0.61) NEK1
SCHEMBL2553322 0.89 NEK1 (0.66) NEK1
SCHEMBL2551355 0.88 NEK1 (0.70) NEK1
SCHEMBL2547592 0.87 NEK1 (0.66) NEK1
SCHEMBL2549827 0.86 NEK1 (0.57) NEK1
SCHEMBL2550250 0.85 NEK1 (0.68) NEK1
SCHEMBL2547515 0.85 NEK1 (0.68) NEK1
SCHEMBL2547517 0.85 NEK1 (0.68) 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