SCHEMBL2549293

SCHEMBL2549293

COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.68

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
SCHEMBL2551799 0.95 NEK1 (0.69) NEK1
SCHEMBL2546428 0.90 NEK1 (0.72) NEK1
SCHEMBL2544793 0.89 NEK1 (0.70) NEK1
SCHEMBL2553241 0.87 NEK1 (0.60) NEK1
SCHEMBL2550538 0.86 NEK1 (0.56) NEK1
SCHEMBL2551413 0.85 NEK1 (0.78) NEK1
SCHEMBL2549481 0.85 NEK1 (0.65) NEK1
SCHEMBL15100179 0.85 NEK1 (0.61) NEK1
SCHEMBL2552282 0.84 NEK1 (0.71) NEK1
SCHEMBL15100144 0.83 NEK1 (0.72) 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