SCHEMBL4777503

SCHEMBL4777503

C[C@@H](Oc1ccsc1C(=O)On1cnc2ccccc21)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.49
PLK3 Q9H4B4 11/20 0.49
PIK3CD O00329 2/20 0.45
PDGFRB P09619 2/20 0.45
PIM1 P11309 2/20 0.45
PIK3CG P48736 2/20 0.45
NEK2 P51955 2/20 0.45
PIK3C2B O00750 1/20 0.45
RIOK3 O14730 1/20 0.45
DAPK3 O43293 1/20 0.45
PIP5K1C O60331 1/20 0.45
RPS6KA4 O75676 1/20 0.45
STK10 O94804 1/20 0.45
PRKD3 O94806 1/20 0.45
KIT P10721 1/20 0.45
CSNK2A2 P19784 1/20 0.45
GRK4 P32298 1/20 0.45
TIE1 P35590 1/20 0.45
FLT3 P36888 1/20 0.45
PRKCI P41743 1/20 0.45

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
SCHEMBL20108162 0.79 KMT2A (0.48) PLK1PLK3NEK2
SCHEMBL30427708 0.77 PLK1 (0.44) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL29536039 0.76 PLK1 (0.51) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL29453063 0.76 PLK1 (0.51) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL3963311 0.76 PLK1 (0.51) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4777508 0.71 PLK1 (0.50) PLK1PLK3CYP3A4CYP2C9
SCHEMBL2980126 0.67 PLK1 (0.72) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL5578814 0.67 PLK1 (0.72) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4632897 0.67 NEK2 (0.40) PLK1PLK3NEK2CYP3A4CYP2C9
SCHEMBL13592859 0.67 PLK1 (0.71) 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 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