SCHEMBL8217151

SCHEMBL8217151

Nc1cc(C(=O)N2CCC(O)CC2)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.43
PIK3CA P42336 6/20 0.42
MTOR P42345 6/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CG P48736 2/20 0.41
ATR Q13535 1/20 0.41
EPHX1 P07099 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KLKB1 P03952 1/20 0.41
PIK3CB P42338 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3C2B O00750 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40

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
SCHEMBL8217175 0.92 EPHX2 (0.47) EPHX2PIK3CAMTORPIK3CGEPHX1
SCHEMBL8213959 0.90 PIK3CA (0.48) EPHX2PIK3CAMTORPIK3CG
SCHEMBL8217225 0.89 PIK3CA (0.41) EPHX2PIK3CAMTORPIK3R1PIK3CG
SCHEMBL8214634 0.87 ATR (0.43) EPHX2PIK3CAMTORATREPHX1
SCHEMBL8204691 0.84 MTOR (0.45) PIK3CAMTORPIK3R1PIK3CGATR
SCHEMBL3603774 0.81 PIK3CA (0.55) PIK3CAMTORPIK3CD
SCHEMBL8212700 0.80 KLKB1 (0.44) EPHX2PIK3CAMTORPIK3CGATR
SCHEMBL8217162 0.78 KLKB1 (0.47) EPHX2PIK3CAMTORPIK3CGEPHX1
SCHEMBL8219738 0.78 EPHX1 (0.42) EPHX2PIK3CAMTORPIK3CGATR
SCHEMBL8220939 0.78 KLKB1 (0.44) EPHX2PIK3CAMTOREPHX1GAA

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed