SCHEMBL14734883

SCHEMBL14734883

COc1cc(C(=O)NN2CCN(CC3CC3)CC2)ccc1Nc1ncc2c(n1)N(c1ccccc1)CC(F)(F)C(=O)N2C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 14/20 0.58
BRD4 O60885 12/20 0.56
BRDT Q58F21 3/20 0.56
PDXK O00764 1/20 0.51
WEE1 P30291 1/20 0.51
NEK3 P51956 1/20 0.51
PTK2 Q05397 1/20 0.51
CAMKK2 Q96RR4 1/20 0.51
PLK3 Q9H4B4 1/20 0.51
PLK2 Q9NYY3 1/20 0.51
DCLK1 O15075 3/20 0.48
LRRK2 Q5S007 3/20 0.48
MAPK7 Q13164 2/20 0.48
RAD52 P43351 1/20 0.47
EGFR P00533 1/20 0.46
ALK Q9UM73 1/20 0.45

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
SCHEMBL1675652 0.93 PLK1 (0.57) PLK1BRD4BRDTPLK3PLK2
SCHEMBL1675878 0.92 PLK1 (0.65) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL1675893 0.91 PLK1 (0.60) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL1675739 0.91 PLK1 (0.60) PLK1BRD4BRDTPTK2PLK3
SCHEMBL1675594 0.90 PLK1 (0.65) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL1675643 0.90 PLK1 (0.57) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL1675766 0.89 PLK1 (0.57) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL1675851 0.89 PLK1 (0.57) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL1675694 0.88 PLK1 (0.55) PLK1BRD4BRDTDCLK1LRRK2
SCHEMBL1675665 0.87 PLK1 (0.54) PLK1BRD4BRDTPLK3PLK2

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-2564850-B1 Polo-like kinase inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-08-13 EP claimed
EP-2564850-A1 Polo-like kinase inhibitors Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP claimed