SCHEMBL5592979

SCHEMBL5592979

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.66
MTOR P42345 10/20 0.66
PIK3CG P48736 3/20 0.59
HTT P42858 1/20 0.52
PIK3CD O00329 2/20 0.52
PIK3CB P42338 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5592988 0.88 PIK3CA (0.61) PIK3CAMTORPIK3CGHTTPIK3CD
SCHEMBL5593293 0.85 PIK3CA (0.58) PIK3CAMTORPIK3CGHTTPIK3CD
SCHEMBL5593024 0.83 PIK3CA (0.56) PIK3CAMTORPIK3CGHTTPIK3CD
SCHEMBL5593037 0.83 PIK3CA (0.66) PIK3CAMTORPIK3CGHTTPIK3CD
SCHEMBL5603608 0.82 MTOR (0.60) PIK3CAMTORPIK3CGHTTPIK3CD
SCHEMBL5593072 0.82 PIK3CA (0.62) PIK3CAMTORPIK3CGHTTPIK3CD
SCHEMBL4934392 0.81 PIK3CA (0.66) PIK3CAMTORPIK3CGHTTPIK3CD
SCHEMBL5592805 0.81 PIK3CA (0.60) PIK3CAMTORPIK3CGHTTPIK3CD
SCHEMBL4938348 0.81 PIK3CA (0.63) PIK3CAMTORPIK3CGHTTPIK3CD
SCHEMBL5593318 0.80 PIK3CA (0.53) PIK3CAMTORPIK3CGHTTPIK3CD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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