SCHEMBL3267248

SCHEMBL3267248

COC(=O)c1sc(-n2cnc3cc(S(C)(=O)=O)ccc32)cc1OC(C)c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 13/20 0.45
PLK3 Q9H4B4 9/20 0.45
NEK2 P51955 3/20 0.45
PIK3CD O00329 2/20 0.45
NUAK1 O60285 2/20 0.45
PDGFRB P09619 2/20 0.45
PIM1 P11309 2/20 0.45
KDR P35968 2/20 0.45
GPR119 Q8TDV5 4/20 0.44
CYP3A4 P08684 5/20 0.42
CYP2C9 P11712 4/20 0.42
PIK3CG P48736 1/20 0.42
CDK2 P24941 1/20 0.41
IKBKE Q14164 1/20 0.41

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
SCHEMBL3257193 1.00 PLK1 (0.45) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3254713 0.95 PLK1 (0.49) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3257126 0.93 PLK1 (0.53) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL13440202 0.92 PLK1 (0.47) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3258526 0.92 PLK1 (0.47) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3253677 0.91 PLK1 (0.46) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4553012 0.91 PLK1 (0.46) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL13440230 0.91 PLK1 (0.51) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3259784 0.91 PLK1 (0.51) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4355484 0.89 PLK1 (0.48) 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-2032563-B1 BENZIMIDAZOL SUBSTITUTED THIOPHENE DERIVATIVES WITH ACTIVITY ON PLK GLAXOSMITHKLINE LLC (US) 2010-06-02 EP disclosed