SCHEMBL3265579

SCHEMBL3265579

CC[C@@H]1CC(NC(=O)c2cc(OC)c(Nc3ncc4c(n3)N(C(C)C)[C@H](CC)c3c(C#N)ncn3-4)cc2F)CCN1C1CCNCC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 0.77
PLK3 Q9H4B4 6/20 0.52
PLK2 Q9NYY3 6/20 0.52
BRD4 O60885 2/20 0.45
PDXK O00764 1/20 0.41
WEE1 P30291 1/20 0.41
NEK3 P51956 1/20 0.41
PTK2 Q05397 1/20 0.41
BRDT Q58F21 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41

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
SCHEMBL3265448 0.96 PLK1 (0.75) PLK1PLK3PLK2BRD4
SCHEMBL3260121 0.96 PLK1 (0.74) PLK1PLK3PLK2BRD4PDXK
SCHEMBL3259963 0.91 PLK1 (0.78) PLK1PLK3PLK2
SCHEMBL3262896 0.90 PLK1 (0.77) PLK1PLK3PLK2BRD4PDXK
SCHEMBL13434829 0.90 PLK1 (0.82) PLK1PLK3PLK2BRD4PDXK
SCHEMBL3264165 0.89 PLK1 (0.74) PLK1PLK3PLK2BRD4
SCHEMBL3261587 0.87 PLK1 (0.75) PLK1PLK3PLK2
SCHEMBL3261988 0.86 PLK1 (0.74) PLK1PLK3PLK2BRD4PDXK
SCHEMBL13457656 0.86 PLK1 (0.88) PLK1PLK3PLK2BRD4
SCHEMBL3262527 0.86 PLK1 (0.74) PLK1PLK3PLK2BRD4PDXK

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