SCHEMBL256582

SCHEMBL256582

COc1cc2ncc3c(c2cc1CCc1cncs1)n(-c1ccc(C#N)cc1F)c(=O)n3C

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 11/20 0.74
ATM Q13315 5/20 0.62
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
AKT1 P31749 1/20 0.35
MTOR P42345 1/20 0.34
KCNH2 Q12809 3/20 0.34
FGFR1 P11362 2/20 0.34
FLT1 P17948 2/20 0.34
FLT4 P35916 2/20 0.34
KDR P35968 2/20 0.34
EGFR P00533 1/20 0.34
ATR Q13535 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33

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
SCHEMBL168204 0.89 PRKDC (0.68) PRKDCATMFGFR1FLT1FLT4
SCHEMBL10059173 0.87 PRKDC (0.82) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL167275 0.85 PRKDC (1.00) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL20031059 0.84 PRKDC (0.77) PRKDCATMFGFR1FLT1FLT4
SCHEMBL176122 0.82 PRKDC (0.92) PRKDCATMKCNH2ATR
SCHEMBL10059170 0.82 PRKDC (0.73) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL167830 0.81 PRKDC (0.75) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL257587 0.81 PRKDC (0.63) PRKDCATMPIK3CDPIK3CAPIK3CB
SCHEMBL15064295 0.80 PRKDC (0.73) PRKDCATMFGFR1FLT1FLT4
SCHEMBL166327 0.79 PRKDC (0.72) PRKDCATMKDREGFR

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-2012028233-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed