SCHEMBL15722115

SCHEMBL15722115

CCc1c(C(=O)NC2CCN(C)CC2)ccc(Nc2ncc3c(n2)N(C2CCCC2)CC(F)(F)C(=O)N3C)c1OC

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 17/20 0.85
BRD4 O60885 4/20 0.74
BRDT Q58F21 4/20 0.74
ALK Q9UM73 2/20 0.56
RAD52 P43351 1/20 0.55
PLK3 Q9H4B4 2/20 0.54
PIK3CD O00329 1/20 0.53
PDXK O00764 1/20 0.53
CIT O14578 1/20 0.53
RIOK3 O14730 1/20 0.53
GAK O14976 1/20 0.53
DCLK1 O15075 1/20 0.53
DAPK3 O43293 1/20 0.53
RPS6KA5 O75582 1/20 0.53
RPS6KA4 O75676 1/20 0.53
STK16 O75716 1/20 0.53
STK10 O94804 1/20 0.53
PRKD3 O94806 1/20 0.53
CHEK2 O96017 1/20 0.53
ABL1 P00519 1/20 0.53

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
SCHEMBL1675596 0.92 PLK1 (1.00) PLK1BRD4BRDTALKRAD52
SCHEMBL4412882 0.87 PLK1 (0.79) PLK1BRD4BRDTALKRAD52
SCHEMBL12386468 0.87 PLK1 (0.85) PLK1BRD4BRDTALKRAD52
SCHEMBL29377237 0.85 PLK1 (1.00) PLK1BRD4BRDTALKRAD52
SCHEMBL1559146 0.85 PLK1 (1.00) PLK1BRD4BRDTALKRAD52
SCHEMBL1560682 0.85 PLK1 (0.82) PLK1BRD4BRDTALKRAD52
SCHEMBL1675657 0.84 PLK1 (1.00) PLK1BRD4BRDTALKRAD52
SCHEMBL1560010 0.84 PLK1 (0.99) PLK1BRD4BRDTALKRAD52
Tak-960 SCHEMBL30047124 0.84 PLK1 (1.00) PLK1BRD4BRDTRAD52PLK3
Tak-960 SCHEMBL1560793 0.84 PLK1 (1.00) PLK1BRD4BRDTRAD52PLK3

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-2205241-B1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-05-21 EP disclosed