SCHEMBL5593207

SCHEMBL5593207

O=C(C1CNCCS1)N1CCN(c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.51
MTOR P42345 13/20 0.51
PIK3CG P48736 7/20 0.45
PIK3CD O00329 3/20 0.43
HTT P42858 1/20 0.41
PIK3CB P42338 2/20 0.41
ATR Q13535 1/20 0.39
ATRIP Q8WXE1 1/20 0.39

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
SCHEMBL5593318 0.85 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CDHTT
SCHEMBL5593024 0.83 PIK3CA (0.56) PIK3CAMTORPIK3CGPIK3CDHTT
SCHEMBL5603844 0.82 PIK3CA (0.52) PIK3CAMTORPIK3CGPIK3CDHTT
SCHEMBL5593037 0.80 PIK3CA (0.66) PIK3CAMTORPIK3CGPIK3CDHTT
SCHEMBL5592979 0.79 PIK3CA (0.66) PIK3CAMTORPIK3CGPIK3CDHTT
SCHEMBL5603608 0.79 MTOR (0.60) PIK3CAMTORPIK3CGPIK3CDHTT
SCHEMBL5592988 0.78 PIK3CA (0.61) PIK3CAMTORPIK3CGPIK3CDHTT
SCHEMBL5593072 0.74 PIK3CA (0.62) PIK3CAMTORPIK3CGPIK3CDHTT
SCHEMBL5593293 0.74 PIK3CA (0.58) PIK3CAMTORPIK3CGPIK3CDHTT
SCHEMBL4934392 0.72 PIK3CA (0.66) PIK3CAMTORPIK3CGPIK3CDHTT

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-2007066099-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO claimed