SCHEMBL7871796

SCHEMBL7871796

Cc1ccc2ncc3c(c2c1)n(-c1ccc(N2CC(F)(F)C2)nc1C)c(=O)n3C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 13/20 0.48
PIK3CA P42336 7/20 0.46
MTOR P42345 7/20 0.46
PIK3CD O00329 4/20 0.46
PIK3CB P42338 4/20 0.46
PIK3CG P48736 4/20 0.46
ATR Q13535 7/20 0.40
CSNK2A2 P19784 1/20 0.38
FECH P22830 1/20 0.38
CLK1 P49759 1/20 0.38
GSK3A P49840 1/20 0.38
DYRK1A Q13627 1/20 0.38
MELK Q14680 1/20 0.38
MYLK3 Q32MK0 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
PIP4K2C Q8TBX8 1/20 0.38
TP53RK Q96S44 1/20 0.38
PRKDC P78527 1/20 0.38
PIK3C2A O00443 1/20 0.37
PIK3C2B O00750 1/20 0.37

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
SCHEMBL3514005 0.91 ATM (0.47) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3514436 0.86 ATM (0.45) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL2067761 0.85 ATM (0.52) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL7880213 0.84 MTOR (0.45) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL2068935 0.82 MTOR (0.55) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL2067482 0.81 ATM (0.48) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL2068645 0.79 ATM (0.46) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL7874775 0.79 MTOR (0.43) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL7878044 0.79 MTOR (0.43) ATMPIK3CAMTORPIK3CDPIK3CB
SCHEMBL3512636 0.79 MTOR (0.43) ATMPIK3CAMTORPIK3CDPIK3CB

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-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed