SCHEMBL6844581

SCHEMBL6844581

CC[C@@]12CCCCN1c1nc(-n3ccnc3-c3ccc(F)cc3F)ncc1NC2=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PLK2 Q9NYY3 18/20 0.38
PLK1 P53350 16/20 0.38
PLK3 Q9H4B4 1/20 0.31
DPP4 P27487 1/20 0.31

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
SCHEMBL6844537 1.00 PLK2 (0.38) PLK2PLK1PLK3DPP4
SCHEMBL2048004 0.85 PLK2 (0.50) PLK2PLK1PLK3
SCHEMBL12392654 0.85 PLK2 (0.50) PLK2PLK1PLK3
SCHEMBL2048528 0.85 PLK2 (0.50) PLK2PLK1PLK3
SCHEMBL6844619 0.84 PLK2 (0.41) PLK2PLK1PLK3
SCHEMBL2690239 0.81 PLK2 (0.37) PLK2PLK1PLK3
SCHEMBL1688643 0.81 PLK2 (0.37) PLK2PLK1PLK3
SCHEMBL6844378 0.81 PLK2 (0.40) PLK2PLK1PLK3
SCHEMBL2688460 0.80 PLK2 (0.37) PLK2PLK1PLK3
SCHEMBL2689330 0.80 PLK2 (0.37) PLK2PLK1PLK3

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-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed