SCHEMBL2575702

SCHEMBL2575702

C[C@@H]1CN(S(C)(=O)=O)C[C@@H](C)N1Cc1cc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc2s1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.81
PIK3CB P42338 14/20 0.81
PIK3CD O00329 13/20 0.66
PIK3CG P48736 10/20 0.66
PIK3C2A O00443 1/20 0.66
PLK4 O00444 1/20 0.66
PIK3R2 O00459 1/20 0.66
PIK3C2B O00750 1/20 0.66
GAK O14976 1/20 0.66
EPHB6 O15197 1/20 0.66
DAPK3 O43293 1/20 0.66
STK16 O75716 1/20 0.66
PIK3C2G O75747 1/20 0.66
NTRK1 P04629 1/20 0.66
NQO2 P16083 1/20 0.66
CSNK2A2 P19784 1/20 0.66
JAK1 P23458 1/20 0.66
PIK3R1 P27986 1/20 0.66
TYK2 P29597 1/20 0.66
AKT1 P31749 1/20 0.66

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
SCHEMBL189946 1.00 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C2A
SCHEMBL2575700 1.00 PIK3CA (0.81) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C2A
SCHEMBL190427 0.90 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C2A
SCHEMBL190021 0.89 PIK3CA (1.00) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C2A
SCHEMBL190194 0.87 PIK3CA (0.80) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C2A
SCHEMBL190193 0.87 PIK3CA (0.80) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C2A
SCHEMBL190576 0.87 PIK3CA (0.80) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C2A
SCHEMBL190339 0.87 PIK3CA (0.94) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C2A
SCHEMBL190182 0.84 PIK3CA (0.82) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C2A
SCHEMBL190185 0.83 PIK3CA (0.84) PIK3CAPIK3CBPIK3CDPIK3CGPIK3C2A

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-2041139-B1 PHARMACEUTICAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2011-11-09 EP claimed