SCHEMBL16918878

SCHEMBL16918878

CCCOc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.65

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
SCHEMBL2547064 0.89 NEK1 (0.71) NEK1
SCHEMBL2548248 0.89 NEK1 (0.71) NEK1
SCHEMBL2550203 0.88 NEK1 (0.72) NEK1
SCHEMBL18087479 0.85 NEK1 (0.60) NEK1
SCHEMBL12278010 0.84 NEK1 (0.80) NEK1
SCHEMBL12277816 0.84 NEK1 (0.80) NEK1
SCHEMBL2547549 0.83 NEK1 (0.61) NEK1
SCHEMBL12277886 0.83 NEK1 (0.79) NEK1
SCHEMBL2550220 0.82 NEK1 (0.80) NEK1
SCHEMBL2551180 0.81 NEK1 (0.76) 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
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed