SCHEMBL6844665

SCHEMBL6844665

Cn1cc(-c2ncc3c(n2)N(C2CCOC2)CC(=O)N3)c(-c2nccs2)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.47
PLK2 Q9NYY3 5/20 0.47
PRKDC P78527 1/20 0.39
PIK3CA P42336 3/20 0.37
MTOR P42345 3/20 0.37
PLK3 Q9H4B4 1/20 0.33
JAK2 O60674 2/20 0.31
FGFR1 P11362 1/20 0.31
FGFR4 P22455 1/20 0.31
FLT3 P36888 2/20 0.30
SYK P43405 2/20 0.30
PIK3CD O00329 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
SCHEMBL6844759 0.86 PLK1 (0.47) PLK1PLK2PRKDCPIK3CAMTOR
SCHEMBL6844686 0.83 PLK1 (0.61) PLK1PLK2PRKDCPIK3CAMTOR
SCHEMBL6844827 0.78 PLK1 (0.60) PLK1PLK2PRKDCPIK3CAMTOR
SCHEMBL2053089 0.77 PLK2 (0.74) PLK1PLK2PLK3
SCHEMBL12277116 0.77 PLK2 (0.74) PLK1PLK2PLK3
SCHEMBL1288407 0.71 PLK1 (0.55) PLK1PLK2PRKDCPLK3
SCHEMBL2688357 0.71 PLK1 (0.55) PLK1PLK2PRKDCPLK3
SCHEMBL1288404 0.71 PLK1 (0.55) PLK1PLK2PRKDCPLK3
SCHEMBL5931430 0.71 PLK1 (0.55) PLK1PLK2PRKDCPLK3
SCHEMBL2688346 0.71 PLK1 (0.55) PLK1PLK2PRKDCPLK3

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