SCHEMBL4633349

SCHEMBL4633349

COc1ccc(COc2ccc3ncn(-c4cc(O[C@H](C)c5ccccc5C(F)(F)F)c(C(=O)O)s4)c3c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.74
PLK3 Q9H4B4 12/20 0.74
NEK2 P51955 4/20 0.62
PIM1 P11309 3/20 0.62
PIK3CD O00329 2/20 0.62
PDGFRB P09619 2/20 0.62
PIK3CG P48736 2/20 0.62
DAPK3 O43293 2/20 0.62
CSNK2A1 P68400 2/20 0.62
PKN2 Q16513 2/20 0.62
PIK3C2B O00750 1/20 0.62
RIOK3 O14730 1/20 0.62
PIP5K1C O60331 1/20 0.62
RPS6KA4 O75676 1/20 0.62
STK10 O94804 1/20 0.62
PRKD3 O94806 1/20 0.62
KIT P10721 1/20 0.62
CSNK2A2 P19784 1/20 0.62
GRK4 P32298 1/20 0.62
TIE1 P35590 1/20 0.62

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
SCHEMBL2977902 0.93 PLK1 (0.73) PLK1PLK3NEK2PIM1PIK3CD
SCHEMBL2988621 0.90 PLK1 (0.75) PLK1PLK3NEK2PIM1PIK3CD
SCHEMBL2989081 0.89 PLK1 (0.73) PLK1PLK3NEK2PIM1PIK3CD
SCHEMBL2988855 0.88 PLK1 (0.70) PLK1PLK3NEK2PIM1PIK3CD
SCHEMBL2978876 0.87 PLK1 (0.69) PLK1PLK3NEK2PIM1PIK3CD
SCHEMBL2986893 0.87 PLK1 (0.73) PLK1PLK3NEK2PIM1PIK3CD
SCHEMBL2982212 0.86 PLK1 (0.68) PLK1PLK3NEK2PIM1PIK3CD
SCHEMBL2989078 0.86 PLK1 (0.74) PLK1PLK3NEK2PIM1PIK3CD
SCHEMBL3077938 0.85 PLK1 (0.65) PLK1PLK3NEK2PIM1PIK3CD
SCHEMBL4632489 0.85 PLK1 (0.66) PLK1PLK3NEK2PIM1PIK3CD

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-1924572-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SmithKline Beecham Corporation (US) 2008-05-28 EP disclosed
WO-2007030366-A1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed