SCHEMBL12166256

SCHEMBL12166256

CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N)c3s2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 18/20 0.78
PIK3CA P42336 11/20 0.57
PIK3CB P42338 10/20 0.56
PIK3CG P48736 10/20 0.56
PIK3C2A O00443 1/20 0.56
PLK4 O00444 1/20 0.56
PIK3R2 O00459 1/20 0.56
PIK3C2B O00750 1/20 0.56
GAK O14976 1/20 0.56
EPHB6 O15197 1/20 0.56
DAPK3 O43293 1/20 0.56
STK16 O75716 1/20 0.56
PIK3C2G O75747 1/20 0.56
NTRK1 P04629 1/20 0.56
NQO2 P16083 1/20 0.56
CSNK2A2 P19784 1/20 0.56
JAK1 P23458 1/20 0.56
PIK3R1 P27986 1/20 0.56
TYK2 P29597 1/20 0.56
AKT1 P31749 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
SCHEMBL189615 0.88 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL12166271 0.85 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL12807329 0.84 PIK3CA (0.76) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL12166192 0.84 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL12166267 0.84 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL13049564 0.81 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGABCC4
SCHEMBL16111788 0.81 PIK3CD (0.87) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL12166236 0.79 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL1087524 0.79 PIK3CD (0.84) PIK3CDPIK3CAPIK3CBPIK3CGPIK3C2A
SCHEMBL13050449 0.79 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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 disclosed