SCHEMBL10093296

SCHEMBL10093296

CC[C@@H]1C(=O)N(C=N)/C(=C/N)C(=N)N1C1CCCC1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.30
PLK3 Q9H4B4 1/20 0.30
PLK2 Q9NYY3 1/20 0.30

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
SCHEMBL7750944 0.84 PLK1 (0.37) PLK1PLK3PLK2
SCHEMBL16984508 0.83 OPRM1 (0.32) PLK1PLK3PLK2
SCHEMBL14193656 0.75 PLK1 (0.37) PLK1PLK3PLK2
SCHEMBL16984420 0.72 PLK1 (0.37) PLK1PLK3PLK2
SCHEMBL16984507 0.71 PLK1 (0.31) PLK1PLK3PLK2
SCHEMBL13846078 0.69
SCHEMBL12856830 0.69
SCHEMBL10093224 0.69 BRD4 (0.40)
SCHEMBL18476409 0.69 PLK1 (0.38) PLK1PLK3PLK2
SCHEMBL18475419 0.69 PLK1 (0.38) PLK1PLK3PLK2

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
EP-2010542-B1 4,5-DIHYDRO-[1,2,4]TRIAZOLO[4,3-F]PTERIDINES AS PLK1 PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS VERTEX PHARMA (US) 2012-01-25 EP disclosed