SCHEMBL8218779

SCHEMBL8218779

C[C@H]1COCCN1c1cc(C[S+]([O-])c2ccccc2)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.49
PIK3CD O00329 5/20 0.49
MTOR P42345 7/20 0.47
CHEK1 O14757 8/20 0.43
ATR Q13535 8/20 0.43
PDCD1 Q15116 8/20 0.43
ATRIP Q8WXE1 8/20 0.43
CD274 Q9NZQ7 8/20 0.43
LMNA P02545 1/20 0.40
KMT2A Q03164 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
SCHEMBL8092747 0.88 PIK3CA (0.51) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL8218940 0.81 PIK3CA (0.51) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3598683 0.81 PIK3CA (0.56) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3723251 0.81 PDCD1 (0.56) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3723256 0.81 PDCD1 (0.56) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3594878 0.80 PIK3CA (0.61) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL739897 0.79 PIK3CA (0.72) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL11926857 0.78 PIK3CA (0.52) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3605441 0.77 PIK3CA (0.53) PIK3CAPIK3CDMTORCHEK1ATR
SCHEMBL3593430 0.77 PIK3CA (0.63) PIK3CAPIK3CDMTORCHEK1ATR

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