SCHEMBL20548306

SCHEMBL20548306

COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)cc2C(F)(F)F)c(=O)n4C)cn1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.89
PIK3CA P42336 3/20 0.89
PIK3CD O00329 1/20 0.89
CSNK2A2 P19784 1/20 0.89
FECH P22830 1/20 0.89
PIK3CB P42338 1/20 0.89
PIK3CG P48736 1/20 0.89
CLK1 P49759 1/20 0.89
GSK3A P49840 1/20 0.89
DYRK1A Q13627 1/20 0.89
MELK Q14680 1/20 0.89
MYLK3 Q32MK0 1/20 0.89
PIK3C3 Q8NEB9 1/20 0.89
PIP4K2C Q8TBX8 1/20 0.89
TP53RK Q96S44 1/20 0.89
RPTOR Q8N122 1/20 0.82
MLST8 Q9BVC4 1/20 0.82
RIOK2 Q9BVS4 8/20 0.65
ATM Q13315 1/20 0.59
ATR Q13535 1/20 0.59

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
Bgt-226 Free Base SCHEMBL146939 0.94 MTOR (1.00) MTORPIK3CAPIK3CDCSNK2A2FECH
Bgt-226 Free Base SCHEMBL29388241 0.94 MTOR (1.00) MTORPIK3CAPIK3CDCSNK2A2FECH
Bgt-226 Free Base SCHEMBL29388607 0.94 MTOR (1.00) MTORPIK3CAPIK3CDCSNK2A2FECH
Bgt-226 Free Base SCHEMBL29351405 0.94 MTOR (1.00) MTORPIK3CAPIK3CDCSNK2A2FECH
Bgt-226 Free Base SCHEMBL29394351 0.89 MTOR (0.89) MTORPIK3CAPIK3CDCSNK2A2FECH
Bgt-226 Free Base SCHEMBL996047 0.89 MTOR (0.89) MTORPIK3CAPIK3CDCSNK2A2FECH
Bgt-226 Free Base SCHEMBL31326455 0.89 MTOR (0.89) MTORPIK3CAPIK3CDCSNK2A2FECH
Bgt-226 Free Base SCHEMBL996046 0.89 MTOR (0.89) MTORPIK3CAPIK3CDCSNK2A2FECH
SCHEMBL24455231 0.88 MTOR (0.89) MTORPIK3CAPIK3CDCSNK2A2FECH
SCHEMBL928275 0.86 MTOR (0.86) MTORPIK3CAPIK3CDCSNK2A2FECH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615548-A1 BIS 2'-5'-RR-(3'F-A)(3'F-A) CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF Aduro Biotech, Inc. (US) 2020-03-04 EP disclosed
WO-2018198076-A1 BIS 2'-5'-RR-(3'F-A)(3'F-A) CYCLIC DINUCLEOTIDE COMPOUND AND USES THEREOF Aduro Biotech, Inc. (US) 2018-11-01 WO disclosed