SCHEMBL6844709

SCHEMBL6844709

CN1C(=O)CN(C2CC(F)(F)C2)c2nc(I)ncc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.39
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
RPS6KA3 P51812 2/20 0.35
PLK1 P53350 4/20 0.35
PLK2 Q9NYY3 2/20 0.35
BRD4 O60885 2/20 0.34
BRDT Q58F21 2/20 0.34
ALK Q9UM73 1/20 0.33
STK4 Q13043 1/20 0.32
TTK P33981 1/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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
SCHEMBL6844719 0.85 PRKDC (0.39) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6844492 0.84 PRKDC (0.45) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16405158 0.78 PLK2 (0.40) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6844602 0.77 PRKDC (0.39) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12807308 0.71 PLK1 (0.53) PLK1BRD4BRDTSTK4TTK
SCHEMBL16405222 0.71 PLK2 (0.54) PLK1PLK2
SCHEMBL2875624 0.70 PRKDC (0.47) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6840457 0.70 PRKDC (0.49) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6840359 0.68 PRKDC (0.45) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6844375 0.68 PRKDC (0.45) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG

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