SCHEMBL7993772

SCHEMBL7993772

CNc1nccn2c1c(-c1cc3cccc(C(F)(F)F)c3[nH]1)nc2[C@H]1CC[C@H](C(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.62
PIK3CA P42336 2/20 0.62
PIK3CG P48736 2/20 0.62
PRKDC P78527 2/20 0.62
RICTOR Q6R327 2/20 0.62
RPTOR Q8N122 2/20 0.62
MAPKAP1 Q9BPZ7 2/20 0.62
MLST8 Q9BVC4 2/20 0.62
PIK3CB P42338 1/20 0.62
RIPK2 O43353 1/20 0.47
RET P07949 1/20 0.47
NQO2 P16083 1/20 0.47
CSNK2A2 P19784 1/20 0.47
FECH P22830 1/20 0.47
ACVR1B P36896 1/20 0.47
TGFBR1 P36897 1/20 0.47
MAPK10 P53779 1/20 0.47
MAP2K5 Q13163 1/20 0.47
BMPR2 Q13873 1/20 0.47
PIP4K2C Q8TBX8 1/20 0.47

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
SCHEMBL6942812 0.89 PIK3CA (0.79) MTORPIK3CAPIK3CGPRKDCRICTOR
SCHEMBL13962513 0.79 MTOR (0.57) MTORPIK3CAPIK3CGPRKDCRICTOR
SCHEMBL14536973 0.78 MTOR (0.51) MTORPIK3CAPIK3CGPRKDCRICTOR
SCHEMBL6943372 0.78 PIK3CA (0.82) MTORPIK3CAPIK3CGPRKDCRICTOR
SCHEMBL6944582 0.78 MTOR (0.76) MTORPIK3CAPIK3CGPRKDCRICTOR
SCHEMBL13962745 0.78 PIK3CA (0.85) MTORPIK3CAPIK3CGPRKDCRICTOR
SCHEMBL13962787 0.77 FGFR1 (0.52) MTORPIK3CAPIK3CGPRKDCRICTOR
SCHEMBL8064575 0.77 PIK3CA (0.81) MTORPIK3CAPIK3CGPRKDCRICTOR
SCHEMBL6943564 0.77 PIK3CA (0.81) MTORPIK3CAPIK3CGPRKDCRICTOR
SCHEMBL6942690 0.77 PIK3CA (0.84) MTORPIK3CAPIK3CGPRKDCRICTOR

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-2009117482-A1 MTOR INHIBITOR SALT FORMS OSI PHARMACEUTICALS, INC (US) 2009-09-24 WO disclosed