SCHEMBL7876833

SCHEMBL7876833

CCOc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(OC)nc5C)c4c3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 15/20 0.47
PIK3CA P42336 14/20 0.47
ATM Q13315 11/20 0.47
ATR Q13535 4/20 0.46
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
PIK3CD O00329 2/20 0.41
CSNK2A2 P19784 1/20 0.41
FECH P22830 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
CLK1 P49759 1/20 0.41
GSK3A P49840 1/20 0.41
DYRK1A Q13627 1/20 0.41
MELK Q14680 1/20 0.41
MYLK3 Q32MK0 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
TP53RK Q96S44 1/20 0.41

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
SCHEMBL3516922 0.84 ATM (0.49) MTORPIK3CAATMATRPIK3CD
SCHEMBL2067981 0.83 MTOR (0.54) MTORPIK3CAATMATRPIK3CD
SCHEMBL2068303 0.80 MTOR (0.46) MTORPIK3CAATMATRBRD4
SCHEMBL7876321 0.77 MTOR (0.41) MTORPIK3CAATMATRBRD4
SCHEMBL7870380 0.77 MTOR (0.44) MTORPIK3CAATMATRBRD4
SCHEMBL2067592 0.76 MTOR (0.60) MTORPIK3CAATMATRPIK3CD
SCHEMBL3515875 0.76 ATM (0.43) MTORPIK3CAATMATRPIK3CD
SCHEMBL2069625 0.75 ATM (0.54) MTORPIK3CAATMATR
SCHEMBL2067597 0.75 ATM (0.54) MTORPIK3CAATMATRPIK3CD
SCHEMBL2067977 0.74 MTOR (0.54) MTORPIK3CAATMATRPIK3CD

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