SCHEMBL2552564

SCHEMBL2552564

N#Cc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)cc1

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.84

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
SCHEMBL2550039 0.91 NEK1 (1.00) NEK1
Hydrochloric Acid SCHEMBL2553396 0.90 NEK1 (0.98) NEK1
SCHEMBL2546258 0.84 NEK1 (1.00) NEK1
Hydrochloric Acid SCHEMBL2549007 0.83 NEK1 (0.98) NEK1
SCHEMBL2552698 0.82 NEK1 (0.77) NEK1
SCHEMBL2550634 0.82 NEK1 (0.71) NEK1
SCHEMBL2554414 0.81 NEK1 (0.72) NEK1
SCHEMBL2546821 0.81 NEK1 (1.00) NEK1
SCHEMBL2552789 0.81 NEK1 (0.75) NEK1
SCHEMBL2552562 0.81 NEK1 (0.72) 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