SCHEMBL6844840

SCHEMBL6844840

O=C1Nc2cnc(-c3cn[nH]c3-c3nccs3)nc2N2CCOCC12

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.51
PLK2 Q9NYY3 5/20 0.51
PIK3CA P42336 2/20 0.49
MTOR P42345 2/20 0.49
PLK3 Q9H4B4 1/20 0.44
ATR Q13535 4/20 0.33
PDE4D Q08499 1/20 0.33
NUDT1 P36639 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
PIK3C3 Q8NEB9 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
SCHEMBL6844686 0.81 PLK1 (0.61) PLK1PLK2PIK3CAMTORPLK3
SCHEMBL6844827 0.79 PLK1 (0.60) PLK1PLK2PIK3CAMTORPLK3
SCHEMBL1688420 0.78 PLK1 (0.48) PLK1PLK2PLK3ATRPDE4D
SCHEMBL10286392 0.77 PLK1 (0.49) PLK1PLK2PIK3CAMTORPLK3
SCHEMBL6911355 0.75 PLK1 (0.50) PLK1PLK2PLK3
SCHEMBL2075063 0.71 MTOR (0.55) PIK3CAMTORNUDT1PIK3C3
SCHEMBL12006348 0.71 MTOR (0.54) PIK3CAMTORATRATRIP
SCHEMBL2052447 0.71 PLK1 (0.60) PLK1PLK2MTORPLK3
SCHEMBL2048055 0.71 PLK1 (0.60) PLK1PLK2MTORPLK3
SCHEMBL2048059 0.71 PLK1 (0.60) PLK1PLK2MTORPLK3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 WO disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed