SCHEMBL2576160

SCHEMBL2576160

CC(C)(O)C(=O)N1CCN(Cc2cc3sc(-c4cccc5[nH]ncc45)cc3c(N3CCOCC3)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.51
PIK3CA P42336 15/20 0.49
MTOR P42345 2/20 0.49
PIK3CB P42338 6/20 0.49
PIK3CG P48736 5/20 0.48
PIK3R1 P27986 2/20 0.47
KCNH2 Q12809 2/20 0.47
ABCC4 O15439 1/20 0.47
ABCB11 O95342 1/20 0.47
PIK3C2A O00443 1/20 0.47
PLK4 O00444 1/20 0.47
PIK3R2 O00459 1/20 0.47
PIK3C2B O00750 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
DAPK3 O43293 1/20 0.47
STK16 O75716 1/20 0.47
PIK3C2G O75747 1/20 0.47
NTRK1 P04629 1/20 0.47
NQO2 P16083 1/20 0.47

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
SCHEMBL1496277 0.85 PIK3CA (0.67) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL189388 0.81 PIK3CA (0.73) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL14876934 0.81 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL14876892 0.81 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL190113 0.79 PIK3CD (0.79) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL4398246 0.79 PIK3CA (0.54) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL190723 0.76 PIK3CA (0.73) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL189747 0.74 PIK3CD (0.80) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL189730 0.73 PIK3CD (0.81) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL190191 0.71 PIK3CA (0.73) PIK3CDPIK3CAMTORPIK3CBPIK3CG

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