SCHEMBL8097463

SCHEMBL8097463

NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccccc4)CCOCC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.39
MTOR P42345 6/20 0.39
PIK3CG P48736 2/20 0.39
ATR Q13535 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
PIK3R1 P27986 1/20 0.38
PIK3CD O00329 7/20 0.37
PLK4 O00444 1/20 0.37
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37
PRKCG P05129 1/20 0.37
CSF1R P07333 1/20 0.37
PIM1 P11309 1/20 0.37
RPS6KB1 P23443 1/20 0.37
CDK2 P24941 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37

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
SCHEMBL8091293 0.93 MAPT (0.42) PIK3CAMTORPIK3CGATRKDM4E
SCHEMBL8091191 0.88 PIK3CA (0.40) PIK3CAMTORPIK3CGATRPIK3CD
SCHEMBL8092236 0.87 PIK3CA (0.44) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8090868 0.84 MTOR (0.38) PIK3CAMTORPIK3CGKDM4EMAPT
SCHEMBL8084155 0.84 MAPT (0.39) PIK3CAMTORPIK3CGATRKDM4E
SCHEMBL8083200 0.83 ALDH1A1 (0.43) PIK3CAMTORPIK3CGPIK3R1CSF1R
SCHEMBL8090246 0.83 PIK3CA (0.42) PIK3CAMTORPIK3CGKDM4EMAPT
SCHEMBL8092374 0.83 PIK3CD (0.39) PIK3CAMTORPIK3CGATRKDM4E
SCHEMBL8097966 0.82 KIF11 (0.37) PIK3CAMTORPIK3CGKDM4EMAPT
SCHEMBL8090158 0.81 MTOR (0.46) PIK3CAMTORPIK3CGPIK3CD

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