SCHEMBL6844754

SCHEMBL6844754

CCCN1c2nc(-c3cn[nH]c3-c3nccs3)ncc2NC(=O)[C@@]1(C)CC

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.51
PLK2 Q9NYY3 6/20 0.51
PLK3 Q9H4B4 1/20 0.51

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
SCHEMBL2052462 0.79 PLK1 (0.55) PLK1PLK2PLK3
SCHEMBL2052465 0.79 PLK1 (0.55) PLK1PLK2PLK3
SCHEMBL6911355 0.76 PLK1 (0.50) PLK1PLK2PLK3
SCHEMBL1288767 0.73 PLK1 (0.45) PLK1PLK2PLK3
SCHEMBL1288769 0.73 PLK1 (0.45) PLK1PLK2PLK3
SCHEMBL2689675 0.72 PLK1 (0.45) PLK1PLK2PLK3
SCHEMBL2689674 0.72 PLK1 (0.45) PLK1PLK2PLK3
SCHEMBL6910408 0.71 SMN1; SMN2 (0.31)
SCHEMBL6844641 0.71 PLK1 (0.73) PLK1PLK2PLK3
SCHEMBL6844827 0.69 PLK1 (0.60) PLK1PLK2PLK3

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