SCHEMBL8090843

SCHEMBL8090843

CNC(=O)Nc1ccc(-c2nc(N[C@@H](C)CO)cc(C3(S(=O)(=O)C4CC4)CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.45
MTOR P42345 12/20 0.45
PIK3CD O00329 6/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CB P42338 1/20 0.45
FPR2 P25090 1/20 0.38
SCN9A Q15858 1/20 0.38
PIK3R1 P27986 1/20 0.36
SMG1 Q96Q15 1/20 0.36
ATR Q13535 1/20 0.35
KIF18A Q8NI77 2/20 0.35

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
SCHEMBL8091932 0.89 FPR2 (0.40) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8094369 0.89 PIK3CD (0.44) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8097098 0.89 PIK3CA (0.46) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8091914 0.87 PIK3CA (0.35) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8097557 0.86 PIK3CD (0.45) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8094419 0.85 CXCR2 (0.38) PIK3CAMTORPIK3CDPIK3CGFPR2
SCHEMBL11926125 0.81 PIK3CA (0.42) PIK3CAMTORPIK3CDPIK3CGFPR2
SCHEMBL8089094 0.79 PIK3CD (0.43) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8082578 0.79 PIK3CD (0.43) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL8091933 0.79 FPR2 (0.39) 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