SCHEMBL12166357

SCHEMBL12166357

Cc1c(CN2CCC(S(C)(=O)=O)CC2)sc2c(NCCO)nc(-c3cccc4[nH]ncc34)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.46
PARP1 P09874 1/20 0.46
PIK3CD O00329 15/20 0.44
PIK3CB P42338 14/20 0.44
PIK3CG P48736 13/20 0.44
ABCC4 O15439 1/20 0.43
ABCB11 O95342 1/20 0.43
PIK3C2A O00443 1/20 0.41
PLK4 O00444 1/20 0.41
PIK3R2 O00459 1/20 0.41
PIK3C2B O00750 1/20 0.41
GAK O14976 1/20 0.41
EPHB6 O15197 1/20 0.41
DAPK3 O43293 1/20 0.41
STK16 O75716 1/20 0.41
PIK3C2G O75747 1/20 0.41
NTRK1 P04629 1/20 0.41
NQO2 P16083 1/20 0.41
CSNK2A2 P19784 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL12166371 0.83 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL189600 0.82 PIK3CA (0.64) PIK3CAPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL189325 0.75 PIK3CA (0.62) PIK3CAPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL12166366 0.72 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL189894 0.72 PIK3CA (0.73) PIK3CAPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL12462999 0.71 ABCC4 (0.48) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL12166361 0.70 ABCC4 (0.58) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL12166296 0.70 PIK3CA (0.55) PIK3CAPARP1PIK3CDPIK3CBPIK3CG
SCHEMBL12166278 0.70 ABCC4 (0.54) PIK3CAPIK3CDPIK3CBPIK3CGABCC4
SCHEMBL12166265 0.70 PIK3CD (0.56) PIK3CAPIK3CDPIK3CBPIK3CGABCC4

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