SCHEMBL3264371

SCHEMBL3264371

C[C@@H](Oc1cc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)sc1C(N)=O)c1cccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 4/20 0.45
GPR119 Q8TDV5 12/20 0.42
PLK1 P53350 3/20 0.39
PLK3 Q9H4B4 3/20 0.39
NEK2 P51955 2/20 0.39
PIK3CD O00329 1/20 0.39
NUAK1 O60285 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
KDR P35968 1/20 0.39

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
SCHEMBL4553560 0.83 PLK1 (0.57) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3250712 0.83 PLK1 (0.57) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL4290573 0.82 CHEK2 (0.41) CHEK2GPR119PLK1PLK3NEK2
SCHEMBL3257126 0.82 PLK1 (0.53) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3254713 0.76 PLK1 (0.49) GPR119PLK1PLK3NEK2PIK3CD
SCHEMBL3263611 0.76 PLK1 (0.60) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3256390 0.75 PLK1 (0.60) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL13440232 0.75 PLK1 (0.60) PLK1PLK3NEK2PIK3CDNUAK1
SCHEMBL3257193 0.75 PLK1 (0.45) GPR119PLK1PLK3NEK2PIK3CD
SCHEMBL3267248 0.75 PLK1 (0.45) GPR119PLK1PLK3NEK2PIK3CD

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