SCHEMBL6844719

SCHEMBL6844719

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

nearest known ligand 0.39

Predicted protein targets (top 15)

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
PLK1 P53350 4/20 0.35
PLK2 Q9NYY3 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 2/20 0.34
BRDT Q58F21 2/20 0.34
RPS6KA3 P51812 2/20 0.33
ALK Q9UM73 1/20 0.33
STK4 Q13043 1/20 0.32
TTK P33981 1/20 0.32
MAP3K12 Q12852 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
SCHEMBL6844602 0.91 PRKDC (0.39) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2875624 0.86 PRKDC (0.47) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6844709 0.85 PRKDC (0.39) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6844375 0.84 PRKDC (0.45) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6840359 0.84 PRKDC (0.45) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30030718 0.81 PRKDC (0.57) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL6844511 0.81 PRKDC (0.57) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16405158 0.78 PLK2 (0.40) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL16405157 0.77 PLK1 (0.44) PLK1PLK2BRD4BRDTRPS6KA3
SCHEMBL2874984 0.77 RPS6KA3 (0.36) PRKDCSMN1; SMN2RPS6KA3STK4

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