SCHEMBL1705348

SCHEMBL1705348

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.57
PIK3CD O00329 11/20 0.57
MTOR P42345 9/20 0.52
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
RAF1 P04049 3/20 0.41
BRAF P15056 3/20 0.41

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
SCHEMBL1705852 0.89 PIK3CA (0.50) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1706192 0.83 PIK3CA (0.74) PIK3CAPIK3CDMTOR
SCHEMBL737932 0.81 PIK3CA (0.81) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1706152 0.80 PIK3CA (0.61) PIK3CAPIK3CDMTOR
SCHEMBL1705895 0.80 PIK3CA (0.68) PIK3CAPIK3CDMTOR
SCHEMBL1705779 0.79 PIK3CA (0.63) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL737810 0.77 PIK3CA (0.55) PIK3CAPIK3CDMTOR
SCHEMBL3604473 0.75 PIK3CA (0.75) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3608924 0.75 PIK3CA (0.85) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3597508 0.75 PIK3CA (0.76) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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
EP-2176238-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2012-04-18 EP claimed