SCHEMBL2549412

SCHEMBL2549412

CCNCCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.81

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
SCHEMBL2549918 0.94 NEK1 (0.78) NEK1
SCHEMBL12278010 0.91 NEK1 (0.80) NEK1
SCHEMBL2550812 0.90 NEK1 (1.00) NEK1
SCHEMBL2547066 0.90 NEK1 (0.80) NEK1
Hydrochloric Acid SCHEMBL15092117 0.89 NEK1 (0.98) NEK1
SCHEMBL2550613 0.88 NEK1 (0.69) NEK1
SCHEMBL2549170 0.87 NEK1 (0.71) NEK1
SCHEMBL2550220 0.86 NEK1 (0.80) NEK1
SCHEMBL2546653 0.86 NEK1 (0.82) NEK1
SCHEMBL2550540 0.86 NEK1 (0.82) 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