SCHEMBL6840359

SCHEMBL6840359

CN1C(=O)CN(C2CCCC2)c2nc(Cl)ncc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.45
PLK1 P53350 11/20 0.44
BRD4 O60885 3/20 0.44
BRDT Q58F21 2/20 0.44
ALK Q9UM73 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
TTK P33981 5/20 0.41
PLK4 O00444 1/20 0.37
GAK O14976 1/20 0.37
STK33 Q9BYT3 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
RAD52 P43351 1/20 0.36
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34

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
SCHEMBL6844375 0.97 PRKDC (0.45) PRKDCPLK1BRD4BRDTALK
SCHEMBL2875624 0.95 PRKDC (0.47) PRKDCPLK1BRD4BRDTALK
SCHEMBL30030718 0.89 PRKDC (0.57) PRKDCPLK1BRD4BRDTALK
SCHEMBL6844511 0.89 PRKDC (0.57) PRKDCPLK1BRD4BRDTALK
SCHEMBL1203651 0.87 PLK1 (0.53) PRKDCPLK1BRD4BRDTALK
SCHEMBL30135828 0.87 PLK1 (0.53) PRKDCPLK1BRD4BRDTALK
SCHEMBL3537772 0.86 PLK1 (0.52) PLK1BRD4BRDTALKTTK
SCHEMBL3546382 0.85 PLK1 (0.51) PRKDCPLK1BRD4BRDTALK
SCHEMBL6844492 0.84 PRKDC (0.45) PRKDCPLK1BRD4BRDTALK
SCHEMBL6840457 0.84 PRKDC (0.49) PRKDCPLK1BRD4BRDTALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516441-B1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARM INC (US) 2015-01-21 EP disclosed
WO-2011079118-A1 PTERIDINONES AS INHIBITORS OF POLO-LIKE KINASE ELAN PHARMACEUTICALS, INC (US) 2011-06-30 WO disclosed
WO-2011079114-A1 PTERIDINONES AS INHIBITORS OF POLO - LIKE KINASE ELAN PHARMACEUTICALS, INC. (US) 2011-06-30 WO disclosed