SCHEMBL3262896

SCHEMBL3262896

CC[C@@H]1CC(NC(=O)c2ccc(Nc3ncc4c(n3)N(C(C)C)[C@H](CC)c3c(C#N)ncn3-4)c(OC)c2)CCN1C1CCNCC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 19/20 0.77
BRD4 O60885 5/20 0.57
BRDT Q58F21 2/20 0.52
PDXK O00764 1/20 0.52
WEE1 P30291 1/20 0.52
NEK3 P51956 1/20 0.52
PTK2 Q05397 1/20 0.52
CAMKK2 Q96RR4 1/20 0.52
PLK3 Q9H4B4 1/20 0.52
PLK2 Q9NYY3 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
SCHEMBL3261988 0.96 PLK1 (0.74) PLK1BRD4BRDTPDXKWEE1
SCHEMBL3262527 0.96 PLK1 (0.74) PLK1BRD4BRDTPDXKWEE1
SCHEMBL3265579 0.90 PLK1 (0.77) PLK1BRD4BRDTPDXKWEE1
SCHEMBL3260798 0.90 PLK1 (0.78) PLK1BRD4BRDTPDXKWEE1
SCHEMBL3260801 0.90 PLK1 (0.78) PLK1BRD4BRDTPDXKWEE1
SCHEMBL3259082 0.89 PLK1 (0.74) PLK1BRD4BRDTPDXKNEK3
SCHEMBL3261508 0.87 PLK1 (0.75) PLK1BRD4BRDTPDXKNEK3
SCHEMBL3265448 0.86 PLK1 (0.75) PLK1BRD4PLK3PLK2
SCHEMBL3260121 0.86 PLK1 (0.74) PLK1BRD4BRDTPDXKWEE1
SCHEMBL3262895 0.85 PLK1 (0.83) PLK1BRD4BRDTPDXKWEE1

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