SCHEMBL12166377

SCHEMBL12166377

CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccnc4F)nc(NCCO)c3s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
PIK3CA P42336 15/20 0.47
PIK3CD O00329 11/20 0.47
PIK3CB P42338 9/20 0.47
PIK3CG P48736 9/20 0.47
MTOR P42345 7/20 0.46
PIK3R1 P27986 2/20 0.46
PIK3C2A O00443 1/20 0.46
PLK4 O00444 1/20 0.46
PIK3R2 O00459 1/20 0.46
PIK3C2B O00750 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46
DAPK3 O43293 1/20 0.46
STK16 O75716 1/20 0.46
PIK3C2G O75747 1/20 0.46
NTRK1 P04629 1/20 0.46
NQO2 P16083 1/20 0.46
CSNK2A2 P19784 1/20 0.46

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
SCHEMBL189611 0.81 PIK3CA (0.72) ABCC4ABCB11PIK3CAPIK3CDPIK3CB
SCHEMBL12166180 0.81 PIK3CA (0.69) ABCC4ABCB11PIK3CAPIK3CDPIK3CB
SCHEMBL12166394 0.79 PIK3CA (0.55) ABCC4ABCB11PIK3CAPIK3CDPIK3CB
SCHEMBL12166291 0.79 PIK3CA (0.54) ABCC4ABCB11PIK3CAPIK3CDPIK3CB
SCHEMBL12166361 0.73 ABCC4 (0.58) ABCC4ABCB11PIK3CAPIK3CDPIK3CB
SCHEMBL19216078 0.72 ABCC4 (0.65) ABCC4ABCB11PIK3CAPIK3CDPIK3CB
SCHEMBL19216043 0.72 ABCC4 (0.66) ABCC4ABCB11PIK3CAPIK3CDPIK3CB
SCHEMBL19216017 0.71 ABCC4 (0.65) ABCC4ABCB11PIK3CAPIK3CDPIK3CB
SCHEMBL19216016 0.71 ABCC4 (0.65) ABCC4ABCB11PIK3CAPIK3CDPIK3CB
SCHEMBL12166366 0.71 PIK3CA (0.58) ABCC4ABCB11PIK3CAPIK3CDPIK3CB

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