SCHEMBL16054623

SCHEMBL16054623

CCOC(=O)CC1(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6cnc(N)c(C(F)(F)F)c6)cc5c43)cc2)CNC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 16/20 0.48
▸ PIK3CA P42336 10/20 0.48
▸ PIK3CD O00329 7/20 0.48
▸ PIK3CG P48736 6/20 0.48
▸ PIK3CB P42338 5/20 0.48
▸ PIK3C3 Q8NEB9 3/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ FECH P22830 1/20 0.48
▸ CLK1 P49759 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ MELK Q14680 1/20 0.48
▸ MYLK3 Q32MK0 1/20 0.48
▸ PIP4K2C Q8TBX8 1/20 0.48
▸ TP53RK Q96S44 1/20 0.48
▸ PIK3C2A O00443 3/20 0.46
▸ PIK3C2B O00750 3/20 0.46
▸ RPTOR Q8N122 3/20 0.43
▸ MLST8 Q9BVC4 3/20 0.43
▸ PIK3R1 P27986 2/20 0.42

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
SCHEMBL16054160 0.93 MTOR (0.46) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16054172 0.92 MTOR (0.45) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16055723 0.91 MTOR (0.44) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16055658 0.88 MTOR (0.42) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16055704 0.84 MTOR (0.48) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16054734 0.82 MTOR (0.40) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16054732 0.82 MTOR (0.40) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16055086 0.82 MTOR (0.39) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16054706 0.82 MTOR (0.39) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL16054954 0.81 MTOR (0.49) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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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