SCHEMBL2550359

SCHEMBL2550359

CN(C)CCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.77

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
SCHEMBL23486140 0.89 NEK1 (0.78) NEK1
SCHEMBL16918900 0.89 NEK1 (0.81) NEK1
SCHEMBL2553672 0.88 NEK1 (0.78) NEK1
SCHEMBL2546435 0.87 NEK1 (1.00) NEK1
SCHEMBL2551711 0.86 NEK1 (1.00) NEK1
Hydrochloric Acid SCHEMBL15092774 0.86 NEK1 (0.98) NEK1
Hydrochloric Acid SCHEMBL15092543 0.85 NEK1 (0.98) NEK1
SCHEMBL2546621 0.85 NEK1 (0.89) NEK1
SCHEMBL2545133 0.85 NEK1 (1.00) NEK1
SCHEMBL14672667 0.85 NEK1 (0.89) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed