SCHEMBL27794840

SCHEMBL27794840

O=C(O)CN1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Oc5ccccc5)cc4)nc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.73
PIK3CA P42336 19/20 0.73
PIK3CG P48736 1/20 0.65
RICTOR Q6R327 1/20 0.65
RPTOR Q8N122 1/20 0.65
MAPKAP1 Q9BPZ7 1/20 0.65
MLST8 Q9BVC4 1/20 0.65

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
SCHEMBL3986127 0.88 MTOR (0.84) MTORPIK3CAPIK3CGRICTORRPTOR
Acetic Acid SCHEMBL27794836 0.87 MTOR (0.73) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL3987728 0.86 PIK3CA (0.82) MTORPIK3CAPIK3CG
SCHEMBL27773571 0.85 PIK3CA (0.77) MTORPIK3CAPIK3CG
SCHEMBL3987958 0.85 PIK3CA (0.73) MTORPIK3CA
SCHEMBL27773724 0.84 PIK3CA (0.75) MTORPIK3CAPIK3CG
SCHEMBL3987963 0.83 MTOR (0.74) MTORPIK3CAPIK3CGRICTORRPTOR
SCHEMBL4996359 0.82 PIK3CA (0.89) MTORPIK3CA
SCHEMBL3989081 0.82 PIK3CA (0.82) MTORPIK3CAPIK3CG
SCHEMBL15374735 0.82 PIK3CA (0.86) MTORPIK3CA

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
CN-101675051-A Pyrazolopyrimidine analogs and their use as mtor kinase and pi3 kinase inhibitors WYETH CORP 2010-03-17 CN disclosed