SCHEMBL2551384

SCHEMBL2551384

NCCc1ccc(-c2c(OC(=O)N3CCOCC3)ccc3[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
SCHEMBL2551382 0.85 NEK1 (0.73) NEK1
SCHEMBL2550876 0.84 NEK1 (0.80) NEK1
SCHEMBL2549872 0.79 NEK1 (0.72) NEK1
SCHEMBL2554032 0.79 NEK1 (0.76) NEK1
SCHEMBL2546821 0.79 NEK1 (1.00) NEK1
SCHEMBL2546909 0.76 NEK1 (0.56) NEK1
SCHEMBL2546258 0.76 NEK1 (1.00) NEK1
SCHEMBL2547320 0.76 NEK1 (0.88) NEK1
SCHEMBL2552789 0.75 NEK1 (0.75) NEK1
Hydrochloric Acid SCHEMBL2549007 0.75 NEK1 (0.98) 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 3 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-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed