SCHEMBL31290152

SCHEMBL31290152

COc1ccc(NC(=O)/C=C/c2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.61
MTOR P42345 2/20 0.60
PIK3CD O00329 13/20 0.56
PIK3CB P42338 12/20 0.56
PIK3CG P48736 12/20 0.56
ABCC4 O15439 1/20 0.56
ABCB11 O95342 1/20 0.56
PIK3C2A O00443 1/20 0.55
PLK4 O00444 1/20 0.55
PIK3R2 O00459 1/20 0.55
PIK3C2B O00750 1/20 0.55
GAK O14976 1/20 0.55
EPHB6 O15197 1/20 0.55
DAPK3 O43293 1/20 0.55
STK16 O75716 1/20 0.55
PIK3C2G O75747 1/20 0.55
NTRK1 P04629 1/20 0.55
NQO2 P16083 1/20 0.55
CSNK2A2 P19784 1/20 0.55
JAK1 P23458 1/20 0.55

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
SCHEMBL31290175 0.91 PIK3CA (0.64) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1621765 0.87 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31290220 0.85 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31290042 0.83 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1858545 0.83 PIK3CA (0.71) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31290211 0.82 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL28386988 0.82 PIK3CA (0.68) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL19142710 0.82 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL1864001 0.82 PIK3CA (0.78) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL31290017 0.82 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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