SCHEMBL8218940

SCHEMBL8218940

C[C@H]1COCCN1c1cc(CSc2ccccc2)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.51
PIK3CD O00329 4/20 0.51
MTOR P42345 8/20 0.49
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
CHEK1 O14757 6/20 0.44
ATR Q13535 6/20 0.44
PDCD1 Q15116 6/20 0.44
ATRIP Q8WXE1 6/20 0.44
CD274 Q9NZQ7 6/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3977703 0.85 PIK3CA (0.62) PIK3CAPIK3CDMTOR
SCHEMBL3600785 0.85 PIK3CA (0.62) PIK3CAPIK3CDMTOR
SCHEMBL3601538 0.84 PIK3CA (0.60) PIK3CAPIK3CDMTOR
SCHEMBL3609798 0.83 PIK3CA (0.60) PIK3CAPIK3CDMTOR
SCHEMBL3601650 0.83 PIK3CA (0.56) PIK3CAPIK3CDMTOR
SCHEMBL3598683 0.83 PIK3CA (0.56) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3723251 0.82 PDCD1 (0.56) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3723256 0.82 PDCD1 (0.56) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL8215086 0.82 PIK3CA (0.53) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3594878 0.81 PIK3CA (0.61) PIK3CAPIK3CDMTORLMNACHEK1

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