SCHEMBL13573286

SCHEMBL13573286

CC(Oc1cc(-n2cnc3ccc(C[C@@H]4CCCN(C)C4)cc32)sc1C(N)=O)c1ccccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.72
PLK3 Q9H4B4 15/20 0.72
PIK3CD O00329 2/20 0.69
PDGFRB P09619 2/20 0.69
PIM1 P11309 2/20 0.69
NEK2 P51955 2/20 0.69
NUAK1 O60285 1/20 0.69
KDR P35968 1/20 0.69
CDK2 P24941 1/20 0.62
IKBKE Q14164 1/20 0.62
PIK3C2B O00750 1/20 0.60
RIOK3 O14730 1/20 0.60
DAPK3 O43293 1/20 0.60
PIP5K1C O60331 1/20 0.60
RPS6KA4 O75676 1/20 0.60
STK10 O94804 1/20 0.60
PRKD3 O94806 1/20 0.60
KIT P10721 1/20 0.60
CSNK2A2 P19784 1/20 0.60
GRK4 P32298 1/20 0.60

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
SCHEMBL4405034 1.00 PLK1 (0.72) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4397877 0.93 PLK1 (0.65) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL5002953 0.92 PLK1 (0.81) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL13573245 0.92 PLK1 (0.81) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL14029724 0.90 PLK1 (0.62) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4405198 0.88 PLK1 (0.65) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4406302 0.88 PLK1 (0.68) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL13573213 0.88 PLK1 (0.68) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL14568758 0.86 PLK1 (0.54) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4409927 0.85 PLK1 (0.77) PLK1PLK3PIK3CDPDGFRBPIM1

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-2009151914-A1 METHODS FOR TREATING NEOPLASMS WITH A COMBINATION OF A PLK INHIBITOR AND RETINOID SMITHKLINE BEECHAM CORPORATION (US) 2009-12-17 WO disclosed