SCHEMBL2579276

SCHEMBL2579276

COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](C)C[As](C)C)c(F)c1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 20/20 0.82

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
SCHEMBL2579280 1.00 NEK1 (0.82) NEK1
SCHEMBL15092314 0.90 NEK1 (1.00) NEK1
SCHEMBL2552192 0.90 NEK1 (1.00) NEK1
SCHEMBL2552189 0.90 NEK1 (1.00) NEK1
Hydrochloric Acid SCHEMBL2550651 0.90 NEK1 (0.98) NEK1
Hydrochloric Acid SCHEMBL15092404 0.90 NEK1 (0.98) NEK1
Hydrochloric Acid SCHEMBL15092465 0.90 NEK1 (0.98) NEK1
SCHEMBL2550685 0.89 NEK1 (0.81) NEK1
SCHEMBL2560343 0.89 NEK1 (1.00) NEK1
SCHEMBL2550686 0.89 NEK1 (0.81) 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