SCHEMBL2552445

SCHEMBL2552445

NCCc1ccc(-c2cccc3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.65

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
SCHEMBL15092548 0.91 NEK1 (0.65) NEK1
SCHEMBL2551348 0.85 NEK1 (0.67) NEK1
SCHEMBL28825949 0.85 NEK1 (0.59) NEK1
SCHEMBL2552698 0.80 NEK1 (0.77) NEK1
SCHEMBL2546258 0.79 NEK1 (1.00) NEK1
SCHEMBL2553290 0.79 NEK1 (0.63) NEK1
SCHEMBL2552444 0.79 NEK1 (0.76) NEK1
Hydrochloric Acid SCHEMBL2549007 0.78 NEK1 (0.98) NEK1
SCHEMBL2552878 0.78 NEK1 (0.65) NEK1
SCHEMBL2552564 0.77 NEK1 (0.84) 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