SCHEMBL2553698

SCHEMBL2553698

CCN(C(=O)O)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1F

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.64

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
SCHEMBL16858726 0.91 NEK1 (0.63) NEK1
SCHEMBL2547288 0.86 NEK1 (0.68) NEK1
SCHEMBL2549062 0.82 NEK1 (0.59) NEK1
SCHEMBL2553328 0.82 NEK1 (0.76) NEK1
SCHEMBL2551001 0.81 NEK1 (0.75) NEK1
SCHEMBL2548321 0.81 NEK1 (0.69) NEK1
Hydrochloric Acid SCHEMBL15092422 0.81 NEK1 (0.74) NEK1
SCHEMBL2544791 0.80 NEK1 (0.66) NEK1
SCHEMBL2553700 0.79 NEK1 (0.76) NEK1
SCHEMBL15096426 0.79 NEK1 (0.68) 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