SCHEMBL27773571

SCHEMBL27773571

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

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.77
MTOR P42345 20/20 0.77
PIK3CG P48736 2/20 0.63
MAPK14 Q16539 1/20 0.61
CSNK1G1 Q9HCP0 1/20 0.61

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
SCHEMBL27773724 0.92 PIK3CA (0.75) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL3987728 0.88 PIK3CA (0.82) PIK3CAMTORPIK3CG
SCHEMBL3992451 0.87 PIK3CA (1.00) PIK3CAMTORPIK3CG
SCHEMBL27794840 0.85 MTOR (0.73) PIK3CAMTORPIK3CG
Acetic Acid SCHEMBL27773570 0.84 MTOR (0.74) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL3987061 0.84 MTOR (0.85) PIK3CAMTORPIK3CGMAPK14CSNK1G1
SCHEMBL3987963 0.84 MTOR (0.74) PIK3CAMTORPIK3CG
SCHEMBL27773582 0.83 PIK3CA (0.55) PIK3CAMTORPIK3CG
SCHEMBL3987958 0.82 PIK3CA (0.73) PIK3CAMTOR
SCHEMBL4989661 0.82 PIK3CA (0.85) PIK3CAMTORPIK3CG

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