SCHEMBL8091240

SCHEMBL8091240

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)CCCO)CCC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.39
MTOR P42345 6/20 0.39
PIK3CG P48736 2/20 0.39
PIK3CD O00329 8/20 0.37
PDGFRB P09619 2/20 0.37
KDR P35968 2/20 0.37
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT1 P31749 2/20 0.35
AKT2 P31751 2/20 0.35
PIK3CB P42338 1/20 0.34

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
SCHEMBL8096245 0.96 PIK3CA (0.40) PIK3CAMTORPIK3CGPIK3CDPDGFRB
SCHEMBL8090907 0.92 MTOR (0.46) PIK3CAMTORPIK3CGPIK3CDPIK3CB
SCHEMBL8093280 0.91 PIK3CA (0.41) PIK3CAMTORPIK3CGPIK3CDPIP4K2A
SCHEMBL8092752 0.91 PIK3CD (0.40) PIK3CAMTORPIK3CGPIK3CDPDGFRB
SCHEMBL8097652 0.91 PIK3CD (0.38) PIK3CAMTORPIK3CGPIK3CDPDGFRB
SCHEMBL8091352 0.91 PIK3CA (0.41) PIK3CAMTORPIK3CGPIK3CDPDGFRB
SCHEMBL8093102 0.90 LIPG (0.35) PIK3CAMTORPIK3CGPIK3CDPDGFRB
SCHEMBL8093344 0.90 PIK3CD (0.40) PIK3CAMTORPIK3CGPIK3CDPDGFRB
SCHEMBL8091359 0.87 KDR (0.39) PIK3CAMTORPIK3CDKDR
SCHEMBL8097556 0.87 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3CDPIP4K2A

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