SCHEMBL4754666

SCHEMBL4754666

c1cc(-c2nc(N3CCOCC3)c3cc(CN4CCC(N5CCOCC5)CC4)ccc3n2)c2cc[nH]c2c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.65
MTOR P42345 2/20 0.65
PIK3CD O00329 17/20 0.58
PIK3CB P42338 13/20 0.58
PIK3CG P48736 13/20 0.58
ATR Q13535 1/20 0.58

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
SCHEMBL13982563 0.89 PIK3CA (0.52) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13982546 0.88 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL360996 0.87 PIK3CD (0.69) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13982278 0.87 ATR (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4788956 0.86 ATR (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13982352 0.86 ATR (0.61) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL13982550 0.86 ATR (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL391076 0.85 PIK3CD (0.80) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL13982389 0.82 ATR (0.59) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL994929 0.82 PIK3CD (0.78) PIK3CAPIK3CDPIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152387-A1 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO claimed
WO-2008152387-A1 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed