SCHEMBL2579791

SCHEMBL2579791

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

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.66

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
SCHEMBL2574184 0.95 NEK1 (0.68) NEK1
SCHEMBL16908893 0.90 NEK1 (0.74) NEK1
SCHEMBL14672310 0.89 NEK1 (0.72) NEK1
SCHEMBL2574172 0.86 NEK1 (0.56) NEK1
SCHEMBL2578803 0.86 NEK1 (0.56) NEK1
SCHEMBL2551175 0.85 NEK1 (0.69) NEK1
SCHEMBL2553665 0.85 NEK1 (0.74) NEK1
SCHEMBL15092538 0.84 NEK1 (0.70) NEK1
SCHEMBL16492463 0.84 NEK1 (0.70) NEK1
SCHEMBL2550977 0.84 NEK1 (0.78) 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
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 WO disclosed