SCHEMBL3251986

SCHEMBL3251986

COc1cc2ncn(-c3cc(O[C@H](C)c4cccc(OCC5CCN(C(=O)O)CC5)c4Cl)c(C(N)=O)s3)c2cc1OC

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.65
PLK3 Q9H4B4 11/20 0.65
CDK2 P24941 1/20 0.65
IKBKE Q14164 1/20 0.65
PIK3CD O00329 1/20 0.52
NUAK1 O60285 1/20 0.52
PDGFRB P09619 1/20 0.52
PIM1 P11309 1/20 0.52
KDR P35968 1/20 0.52
NEK2 P51955 1/20 0.52

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
SCHEMBL3250908 0.93 PLK1 (0.69) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL4553248 0.93 PLK1 (0.69) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL4551568 0.92 PLK1 (0.61) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3256808 0.92 PLK1 (0.61) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3618976 0.92 PLK1 (0.61) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3254480 0.91 PLK1 (0.67) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL3250864 0.86 PLK1 (0.69) PLK1PLK3
SCHEMBL3257446 0.86 PLK1 (0.53) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL13440337 0.86 PLK1 (0.53) PLK1PLK3CDK2IKBKEPIK3CD
SCHEMBL4503419 0.84 PLK1 (0.74) PLK1PLK3CDK2IKBKE

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 claimed