SCHEMBL4414009

SCHEMBL4414009

COC(=O)c1sc(-n2cnc3ccc(CC4CCN(C(=O)O)C(C(C)(C)C)C4)cc32)cc1O[C@H](C)c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.57
PLK3 Q9H4B4 14/20 0.57
PIK3CD O00329 2/20 0.52
PDGFRB P09619 2/20 0.52
PIM1 P11309 2/20 0.52
NEK2 P51955 2/20 0.52
NUAK1 O60285 1/20 0.52
KDR P35968 1/20 0.52
IKBKE Q14164 2/20 0.50
CDK2 P24941 1/20 0.50
PIK3C2B O00750 1/20 0.46
RIOK3 O14730 1/20 0.46
DAPK3 O43293 1/20 0.46
PIP5K1C O60331 1/20 0.46
RPS6KA4 O75676 1/20 0.46
STK10 O94804 1/20 0.46
PRKD3 O94806 1/20 0.46
KIT P10721 1/20 0.46
CSNK2A2 P19784 1/20 0.46
GRK4 P32298 1/20 0.46

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 0.87 PLK1 (0.66) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4397738 0.85 PLK1 (0.58) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4397971 0.85 PLK1 (0.57) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL3687448 0.82 PLK1 (0.45) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL14029720 0.82 PLK1 (0.55) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL2973858 0.81 PLK1 (0.68) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL2989088 0.81 PLK1 (0.68) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4397740 0.81 PLK1 (0.55) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4413716 0.81 PLK1 (0.65) PLK1PLK3PIK3CDPDGFRBPIM1
SCHEMBL4407330 0.80 PLK1 (0.62) 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
EP-1924572-B1 REGIOSELECTIVE PROCESS FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed