SCHEMBL3702240

SCHEMBL3702240

COc1cccc(C(=O)NC2CCN(C)CC2)c1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.78
BRD4 O60885 3/20 0.74
BRDT Q58F21 2/20 0.74
RAD52 P43351 1/20 0.56
ALK Q9UM73 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
SCHEMBL31416067 1.00 PLK1 (0.78) PLK1BRD4BRDTRAD52ALK
SCHEMBL30135997 0.88 PLK1 (0.62) PLK1BRD4BRDTRAD52
SCHEMBL1675657 0.88 PLK1 (1.00) PLK1BRD4BRDTRAD52ALK
Tak-960 SCHEMBL1560793 0.86 PLK1 (1.00) PLK1BRD4BRDTRAD52
Tak-960 SCHEMBL30047124 0.86 PLK1 (1.00) PLK1BRD4BRDTRAD52
Tak-960 SCHEMBL29361245 0.86 PLK1 (1.00) PLK1BRD4BRDTRAD52
Tak-960 SCHEMBL23277130 0.85 PLK1 (0.99) PLK1BRD4BRDTRAD52
Tak-960 SCHEMBL30046005 0.85 PLK1 (0.99) PLK1BRD4BRDTRAD52
Tak-960 SCHEMBL30237758 0.85 PLK1 (0.99) PLK1BRD4BRDTRAD52
SCHEMBL1675786 0.85 PLK1 (1.00) PLK1BRD4BRDTRAD52ALK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197442-A1 POLO-LIKE KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
WO-2009042806-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed