SCHEMBL6840300

SCHEMBL6840300

COC(=O)Nc1cnccc1-c1ncc2c(n1)N(C1CCCC1)CC(=O)N2C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 11/20 0.48
BRD4 O60885 3/20 0.48
BRDT Q58F21 3/20 0.48
ALK Q9UM73 1/20 0.45
RAD52 P43351 1/20 0.40
PRKDC P78527 3/20 0.40
TTK P33981 5/20 0.40
PLK4 O00444 1/20 0.37
GAK O14976 1/20 0.37
STK33 Q9BYT3 1/20 0.37
PLK3 Q9H4B4 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
FGFR4 P22455 1/20 0.35

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
SCHEMBL7743634 0.91 PLK1 (0.46) PLK1BRD4BRDTALKRAD52
SCHEMBL6844374 0.84 PLK1 (0.44) PLK1BRD4BRDTALKRAD52
SCHEMBL6840386 0.83 STK4 (0.34) PLK1BRD4BRDT
SCHEMBL2026861 0.81 PLK1 (0.54) PLK1BRD4BRDTALKTTK
SCHEMBL2026862 0.81 PLK1 (0.54) PLK1BRD4BRDTALKTTK
SCHEMBL6840399 0.81 PLK1 (0.42) PLK1BRD4BRDTALKRAD52
SCHEMBL6844484 0.79 PLK1 (0.39) PLK1BRD4BRDTALKRAD52
SCHEMBL2032053 0.74 PLK1 (0.50) PLK1BRD4BRDTPLK3
SCHEMBL2026907 0.74 PLK1 (0.50) PLK1BRD4BRDTPLK3
SCHEMBL6840522 0.73 USP1 (0.35) PRKDCPIK3CDPIK3CAPIK3CG

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
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