SCHEMBL31290160

SCHEMBL31290160

COCCNC(=O)/C=C/c1cc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2s1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.57
PIK3CD O00329 16/20 0.57
PIK3CB P42338 16/20 0.57
PIK3CG P48736 16/20 0.57
MTOR P42345 7/20 0.57
AKT1 P31749 1/20 0.57
SYK P43405 1/20 0.56
MAP3K9 P80192 1/20 0.56

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
SCHEMBL31290195 0.90 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL31290095 0.89 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4439816 0.82 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL5116425 0.82 PIK3CA (0.64) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL31290220 0.82 PIK3CA (0.66) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL31290119 0.81 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4555665 0.81 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL4436834 0.80 PIK3CA (0.62) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL31290099 0.80 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL31290140 0.80 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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
CN-119161359-A Novel 4-morpholinyl thieno [3,2-d ] pyrimidine compound containing acrylamide structure and application thereof 辽宁大学 2024-12-20 CN disclosed