SCHEMBL4400487

SCHEMBL4400487

COC(=O)c1sc(-n2cnc3ccc(OC4CCN(C(=O)O)C(C(C)(C)C)C4)cc32)cc1O[C@H](C)c1ccccc1Cl

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.66
PLK3 Q9H4B4 16/20 0.66
NEK2 P51955 4/20 0.66
PIK3CD O00329 2/20 0.66
NUAK1 O60285 2/20 0.66
PDGFRB P09619 2/20 0.66
PIM1 P11309 2/20 0.66
KDR P35968 2/20 0.66
PIK3CG P48736 1/20 0.55
CDK2 P24941 1/20 0.51
IKBKE Q14164 1/20 0.51

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
SCHEMBL5077914 0.91 PLK1 (0.67) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4414009 0.87 PLK1 (0.57) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2986655 0.87 PLK1 (0.85) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2977487 0.85 PLK1 (0.70) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4397830 0.85 PLK1 (0.73) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4398007 0.84 PLK1 (0.72) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2980517 0.84 PLK1 (0.72) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3687448 0.83 PLK1 (0.45) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4398808 0.82 PLK1 (0.69) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL2986963 0.81 PLK1 (0.88) PLK1PLK3NEK2PIK3CDNUAK1

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-1937671-B1 BENZIMIDAZOLE THIOPHENE COMPOUNDS AS PLK INHIBITORS SMITHKLINE BEECHAM CORP (US) 2009-12-16 EP disclosed