SCHEMBL8083872

SCHEMBL8083872

CS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)NCCO)cc3)n2)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.50
MTOR P42345 7/20 0.50
PIK3CD O00329 13/20 0.48
PIK3CG P48736 3/20 0.46
PIK3CB P42338 1/20 0.46
ATR Q13535 1/20 0.41

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
SCHEMBL8083676 0.92 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8092989 0.92 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8083867 0.91 PIK3CA (0.52) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL8089003 0.90 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8092066 0.89 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8091068 0.88 PIK3CD (0.42) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8092236 0.88 PIK3CA (0.44) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8092043 0.88 MTOR (0.49) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL8083160 0.87 PIK3CD (0.43) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8083631 0.86 PIK3CD (0.41) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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