SCHEMBL8083676

SCHEMBL8083676

CS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.46
MTOR P42345 6/20 0.46
PIK3CD O00329 13/20 0.42
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL8092989 0.98 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8083702 0.94 PIK3CD (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8083631 0.93 PIK3CD (0.41) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8099345 0.93 PIK3CD (0.44) PIK3CAMTORPIK3CDPIK3CGRAB9A
SCHEMBL8092066 0.92 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8083872 0.92 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8091068 0.91 PIK3CD (0.42) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL8088889 0.91 PIK3CD (0.44) PIK3CAMTORPIK3CDPIK3CGRAB9A
SCHEMBL8097397 0.90 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL8095579 0.89 PIK3CD (0.44) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed