SCHEMBL5077914

SCHEMBL5077914

COC(=O)c1sc(-n2cnc3ccc(OC4CCN(C(=O)O)C(C(C)(C)C)C4)cc32)cc1O[C@H](C)c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.67
PLK3 Q9H4B4 10/20 0.67
NEK2 P51955 8/20 0.67
PIK3CD O00329 3/20 0.67
PDGFRB P09619 3/20 0.67
PIM1 P11309 3/20 0.67
NUAK1 O60285 2/20 0.67
KDR P35968 2/20 0.67
PIK3CG P48736 2/20 0.67
PIK3C2B O00750 1/20 0.52
RIOK3 O14730 1/20 0.52
DAPK3 O43293 1/20 0.52
PIP5K1C O60331 1/20 0.52
RPS6KA4 O75676 1/20 0.52
STK10 O94804 1/20 0.52
PRKD3 O94806 1/20 0.52
KIT P10721 1/20 0.52
CSNK2A2 P19784 1/20 0.52
GRK4 P32298 1/20 0.52
TIE1 P35590 1/20 0.52

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
SCHEMBL4400487 0.91 PLK1 (0.66) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL4408573 0.90 PLK1 (0.74) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL2989268 0.88 PLK1 (0.86) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL2973679 0.86 PLK1 (0.72) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL2987660 0.85 PLK1 (0.86) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL4402962 0.84 PLK1 (0.69) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL2987851 0.83 PLK1 (0.88) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL13592882 0.82 PLK1 (0.69) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL4407697 0.81 PLK1 (0.83) PLK1PLK3NEK2PIK3CDPDGFRB
SCHEMBL4402888 0.81 PLK1 (0.83) PLK1PLK3NEK2PIK3CDPDGFRB

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-1937671-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SmithKline Beecham Corporation (US) 2008-07-02 EP disclosed
WO-2007030361-A2 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed