SCHEMBL3259082

SCHEMBL3259082

CC[C@@H]1c2c(C#N)ncn2-c2cnc(Nc3ccc(C(=O)NC4CCN(C5CCNCC5)[C@H](CC(C)C)C4)cc3OC)nc2N1C1CCCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.74
BRD4 O60885 7/20 0.57
PLK3 Q9H4B4 4/20 0.56
PRKD3 O94806 3/20 0.56
CLK2 P49760 3/20 0.56
PTK2 Q05397 3/20 0.56
CAMK2G Q13555 3/20 0.56
CAMK2D Q13557 3/20 0.56
PRKD2 Q9BZL6 3/20 0.56
CSNK1G1 Q9HCP0 3/20 0.56
CSNK1G3 Q9Y6M4 3/20 0.56
PLK2 Q9NYY3 3/20 0.56
BRDT Q58F21 2/20 0.56
DAPK3 O43293 2/20 0.56
CHEK2 O96017 2/20 0.56
EGFR P00533 2/20 0.56
FES P07332 2/20 0.56
PHKG2 P15735 2/20 0.56
CSNK1D P48730 2/20 0.56
NEK2 P51955 2/20 0.56

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
SCHEMBL3261508 0.93 PLK1 (0.75) PLK1BRD4PLK3PRKD3CLK2
SCHEMBL3261988 0.93 PLK1 (0.74) PLK1BRD4PLK3PTK2PLK2
SCHEMBL3264165 0.91 PLK1 (0.74) PLK1BRD4PLK3PLK2
SCHEMBL3262896 0.89 PLK1 (0.77) PLK1BRD4PLK3PTK2PLK2
SCHEMBL3262527 0.87 PLK1 (0.74) PLK1BRD4PLK3PTK2PLK2
SCHEMBL3259963 0.86 PLK1 (0.78) PLK1PLK3PLK2
SCHEMBL3261587 0.84 PLK1 (0.75) PLK1PLK3PLK2
SCHEMBL3259080 0.84 PLK1 (0.81) PLK1BRD4PLK3PRKD3CLK2
SCHEMBL3265448 0.83 PLK1 (0.75) PLK1BRD4PLK3PLK2
SCHEMBL3261372 0.83 PLK1 (0.94) PLK1BRD4PLK3PRKD3CLK2

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
WO-2010025073-A1 DIHYDROIMIDAZO [ 1, 5-F] PTERIDINES AS POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 WO disclosed