SCHEMBL28825949

SCHEMBL28825949

CNCCc1ccc(-c2cccc3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.59

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
SCHEMBL2552445 0.85 NEK1 (0.65) NEK1
SCHEMBL2551348 0.84 NEK1 (0.67) NEK1
SCHEMBL15092548 0.83 NEK1 (0.65) NEK1
SCHEMBL2547066 0.81 NEK1 (0.80) NEK1
SCHEMBL2547607 0.79 NEK1 (0.81) NEK1
SCHEMBL2552444 0.76 NEK1 (0.76) NEK1
SCHEMBL2550248 0.74 NEK1 (0.77) NEK1
SCHEMBL2551345 0.74 NEK1 (1.00) NEK1
SCHEMBL2551413 0.73 NEK1 (0.78) NEK1
SCHEMBL2551470 0.72 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
CN-102917590-B Tricyclic compound and the PBK inhibitor containing described compound ONCOTHERAPY SCIENCE, INC. (JP) 2016-02-17 CN disclosed