SCHEMBL3264701

SCHEMBL3264701

COC(=O)c1sc(-n2cnc3ccc(S(C)(=O)=O)cc32)cc1OC(C)c1cccc(O)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.54
PLK3 Q9H4B4 13/20 0.54
CDK2 P24941 1/20 0.51
IKBKE Q14164 1/20 0.51
PIK3CD O00329 1/20 0.46
NUAK1 O60285 1/20 0.46
PDGFRB P09619 1/20 0.46
PIM1 P11309 1/20 0.46
KDR P35968 1/20 0.46
NEK2 P51955 1/20 0.46
CYP2C9 P11712 1/20 0.44

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
SCHEMBL3259770 1.00 PLK1 (0.54) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3255943 0.94 PLK1 (0.51) PLK1PLK3CDK2IKBKECYP2C9
SCHEMBL3601523 0.92 PLK1 (0.53) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3264411 0.90 PLK1 (0.57) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3256929 0.90 PLK1 (0.57) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3251961 0.89 PLK1 (0.52) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3267703 0.89 PLK1 (0.52) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3253896 0.88 PLK1 (0.50) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3254887 0.88 PLK1 (0.56) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL4551877 0.88 PLK1 (0.56) PLK1PLK3CDK2IKBKEPIK3CD

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