SCHEMBL6844588

SCHEMBL6844588

CCC12CCCN1c1nc(-n3ccnc3-c3ccc(Cl)s3)ncc1NC2=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.33
PLK2 Q9NYY3 6/20 0.33
PTPN11 Q06124 1/20 0.32
PLK3 Q9H4B4 1/20 0.32
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL2051875 0.84 PLK2 (0.44) PLK1PLK2PLK3
SCHEMBL2051872 0.84 PLK2 (0.44) PLK1PLK2PLK3
SCHEMBL6844378 0.84 PLK2 (0.40) PLK1PLK2PLK3
SCHEMBL6844455 0.82 PLK2 (0.36) PLK1PLK2PLK3
SCHEMBL6844619 0.80 PLK2 (0.41) PLK1PLK2PLK3
SCHEMBL2691935 0.80 PLK1 (0.32) PLK1PLK2PTPN11PLK3
SCHEMBL2688234 0.80 PLK1 (0.32) PLK1PLK2PTPN11PLK3
SCHEMBL6844591 0.79 PLK2 (0.38) PLK1PLK2PLK3
SCHEMBL6844581 0.77 PLK2 (0.38) PLK1PLK2PLK3
SCHEMBL6844537 0.77 PLK2 (0.38) 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