SCHEMBL16054954

SCHEMBL16054954

Cn1c(=O)n(-c2ccc(C3(CCO)COC3)cc2)c2c3cc(-c4cnc(N)c(C(F)(F)F)c4)ccc3ncc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 16/20 0.49
▸ PIK3CA P42336 15/20 0.49
▸ PIK3C2A O00443 2/20 0.49
▸ PIK3C2B O00750 2/20 0.49
▸ PIK3CD O00329 5/20 0.46
▸ PIK3CB P42338 5/20 0.46
▸ PIK3CG P48736 5/20 0.46
▸ PIK3C3 Q8NEB9 2/20 0.46
▸ CSNK2A2 P19784 1/20 0.46
▸ FECH P22830 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ DYRK1A Q13627 1/20 0.46
▸ MELK Q14680 1/20 0.46
▸ MYLK3 Q32MK0 1/20 0.46
▸ PIP4K2C Q8TBX8 1/20 0.46
▸ TP53RK Q96S44 1/20 0.46
▸ ATM Q13315 10/20 0.44
▸ ATR Q13535 6/20 0.44
▸ RPTOR Q8N122 2/20 0.44

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
SCHEMBL16054064 0.90 MTOR (0.51) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16055759 0.88 MTOR (0.53) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16054160 0.88 MTOR (0.46) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16055563 0.86 MTOR (0.51) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16055097 0.82 MTOR (0.50) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16054623 0.81 MTOR (0.48) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16054172 0.80 MTOR (0.45) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16055207 0.80 MTOR (0.46) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16055723 0.79 MTOR (0.44) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL9905281 0.79 PIK3CA (0.52) MTORPIK3CAPIK3C2APIK3C2BPIK3CD

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-2014141118-A1 IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AND USES THEREOF Piramal Enterprises Limited (IN) 2014-09-18 — — WO disclosed
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