SCHEMBL2576205

SCHEMBL2576205

CC(C)(C)N(CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.74

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
SCHEMBL2574184 0.88 NEK1 (0.68) NEK1
SCHEMBL2549873 0.85 NEK1 (1.00) NEK1
SCHEMBL2546836 0.84 NEK1 (0.81) NEK1
SCHEMBL2573571 0.83 NEK1 (0.65) NEK1
SCHEMBL2579791 0.83 NEK1 (0.66) NEK1
Hydrochloric Acid SCHEMBL15092298 0.83 NEK1 (0.80) NEK1
SCHEMBL2553304 0.82 NEK1 (0.77) NEK1
SCHEMBL12278010 0.82 NEK1 (0.80) NEK1
SCHEMBL2547328 0.82 NEK1 (0.88) NEK1
SCHEMBL2550294 0.81 NEK1 (1.00) 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