SCHEMBL10286392

SCHEMBL10286392

Cc1nnc2n1-c1cnc(-c3cn[nH]c3-c3nccs3)nc1N1CCOCC21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.49
PLK2 Q9NYY3 5/20 0.49
PLK3 Q9H4B4 1/20 0.43
ATR Q13535 6/20 0.34
PDE4D Q08499 1/20 0.34
ATRIP Q8WXE1 4/20 0.32
PIK3CA P42336 2/20 0.32
MTOR P42345 2/20 0.32
NUDT1 P36639 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
SCHEMBL1688420 0.85 PLK1 (0.48) PLK1PLK2PLK3ATRPDE4D
SCHEMBL1288336 0.80 PLK1 (0.73) PLK1PLK2PLK3
SCHEMBL5931036 0.80 PLK1 (0.73) PLK1PLK2PLK3
SCHEMBL1288780 0.78 PLK1 (0.72) PLK1PLK2PLK3
SCHEMBL1288784 0.78 PLK1 (0.72) PLK1PLK2PLK3
SCHEMBL6844840 0.77 PLK1 (0.51) PLK1PLK2PLK3ATRPDE4D
SCHEMBL2689522 0.77 PLK1 (0.47) PLK1PLK2PLK3MTOR
SCHEMBL2689499 0.77 PLK1 (0.47) PLK1PLK2PLK3MTOR
SCHEMBL1288358 0.74 PLK1 (0.58) PLK1PLK2PLK3
SCHEMBL1688433 0.74 PLK1 (0.45) 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-2012048129-A2 INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2012-04-12 WO disclosed