SCHEMBL2552760

SCHEMBL2552760

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

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.67

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
SCHEMBL15092537 0.90 NEK1 (0.66) NEK1
SCHEMBL16492462 0.90 NEK1 (0.66) NEK1
SCHEMBL2576190 0.89 NEK1 (0.63) NEK1
SCHEMBL2552492 0.86 NEK1 (0.67) NEK1
SCHEMBL2548529 0.86 NEK1 (0.80) NEK1
SCHEMBL15092437 0.85 NEK1 (0.64) NEK1
SCHEMBL2547485 0.85 NEK1 (0.78) NEK1
SCHEMBL2553403 0.85 NEK1 (0.76) NEK1
SCHEMBL12266829 0.84 NEK1 (0.73) NEK1
SCHEMBL15092304 0.84 NEK1 (0.70) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
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