SCHEMBL2547355

SCHEMBL2547355

O=c1[nH]c2ccc(O)c(-c3ccc(CCN4CCCC4)cc3)c2c2ccsc12

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.71

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
SCHEMBL2547573 0.99 NEK1 (0.70) NEK1
Hydrochloric Acid SCHEMBL16858704 0.99 NEK1 (0.70) NEK1
Hydrochloric Acid SCHEMBL16858869 0.98 NEK1 (0.68) NEK1
SCHEMBL2546229 0.85 NEK1 (0.72) NEK1
SCHEMBL2550485 0.85 NEK1 (0.71) NEK1
Hydrochloric Acid SCHEMBL16858855 0.85 NEK1 (0.71) NEK1
SCHEMBL2548013 0.85 NEK1 (0.61) NEK1
SCHEMBL2547549 0.85 NEK1 (0.61) NEK1
SCHEMBL2550760 0.84 NEK1 (0.81) NEK1
SCHEMBL2554829 0.84 NEK1 (0.67) 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