SCHEMBL5603608

SCHEMBL5603608

O=C(C1CCN(c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)CC1)N1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 14/20 0.60
PIK3CA P42336 14/20 0.60
PIK3CG P48736 8/20 0.50
PIK3CD O00329 2/20 0.49
HTT P42858 1/20 0.49
PIK3CB P42338 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5593072 0.90 PIK3CA (0.62) MTORPIK3CAPIK3CGPIK3CDHTT
SCHEMBL5592805 0.86 PIK3CA (0.60) MTORPIK3CAPIK3CGPIK3CDHTT
SCHEMBL5593024 0.85 PIK3CA (0.56) MTORPIK3CAPIK3CGPIK3CDHTT
SCHEMBL5592979 0.82 PIK3CA (0.66) MTORPIK3CAPIK3CGPIK3CDHTT
SCHEMBL5593013 0.82 MTOR (0.57) MTORPIK3CAPIK3CGPIK3CDHTT
SCHEMBL5592988 0.81 PIK3CA (0.61) MTORPIK3CAPIK3CGPIK3CDHTT
SCHEMBL5593037 0.81 PIK3CA (0.66) MTORPIK3CAPIK3CGPIK3CDHTT
SCHEMBL5593318 0.80 PIK3CA (0.53) MTORPIK3CAPIK3CGPIK3CDHTT
SCHEMBL5603844 0.79 PIK3CA (0.52) MTORPIK3CAPIK3CGPIK3CDHTT
SCHEMBL4934392 0.79 PIK3CA (0.66) MTORPIK3CAPIK3CGPIK3CDHTT

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-2007066102-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO claimed
WO-2007066102-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO disclosed