SCHEMBL4863872

SCHEMBL4863872

Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2oc(C(C3CCN3)N3CCCCC3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.51
PIK3CA P42336 10/20 0.50
PIK3CB P42338 7/20 0.50
PIK3R1 P27986 4/20 0.50
CYP3A4 P08684 3/20 0.49
PIK3CG P48736 6/20 0.48
MTOR P42345 3/20 0.39
PRKDC P78527 3/20 0.39
ATR Q13535 1/20 0.36

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
SCHEMBL994202 0.86 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL1195081 0.81 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL1194090 0.81 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL995499 0.78 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL13983595 0.75 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL13983591 0.74 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL13983857 0.74 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL13983784 0.74 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL13983593 0.74 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4
SCHEMBL994876 0.73 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3R1CYP3A4

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
WO-2008152394-A1 PHARMACEUTICAL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO claimed