SCHEMBL2576202

SCHEMBL2576202

CCN(C(=O)OC(C)(C)C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.62

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
SCHEMBL2574183 0.89 NEK1 (0.60) NEK1
SCHEMBL14672277 0.87 NEK1 (0.71) NEK1
SCHEMBL2550049 0.84 NEK1 (0.65) NEK1
SCHEMBL2551168 0.83 NEK1 (0.59) NEK1
SCHEMBL2549488 0.80 NEK1 (0.58) NEK1
SCHEMBL15092570 0.79 NEK1 (0.57) NEK1
SCHEMBL15092293 0.79 NEK1 (0.71) NEK1
SCHEMBL2552335 0.78 NEK1 (0.56) NEK1
SCHEMBL2579211 0.78 NEK1 (0.58) NEK1
SCHEMBL12278010 0.77 NEK1 (0.80) 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