SCHEMBL2579211

SCHEMBL2579211

CCN(C(=O)OC(C)(C)C)c1ccc(-c2c(OC)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.58

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
SCHEMBL2550535 0.94 NEK1 (0.57) NEK1
SCHEMBL2552335 0.90 NEK1 (0.56) NEK1
SCHEMBL2550025 0.89 NEK1 (0.62) NEK1
SCHEMBL2574183 0.85 NEK1 (0.60) NEK1
SCHEMBL2578801 0.84 NEK1 (0.55) NEK1
SCHEMBL2578570 0.84 NEK1 (0.61) NEK1
SCHEMBL15092759 0.84 NEK1 (0.61) NEK1
SCHEMBL2549827 0.84 NEK1 (0.57) NEK1
SCHEMBL14672328 0.84 NEK1 (0.60) NEK1
SCHEMBL2551955 0.84 NEK1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed