SCHEMBL908873

SCHEMBL908873

O=C(O)N1CCN(c2nc(-c3cccc(O)c3)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.67
MTOR P42345 1/20 0.61
PIK3R1 P27986 1/20 0.57
PIK3CD O00329 1/20 0.53
PIK3CB P42338 2/20 0.53
PIK3CG P48736 2/20 0.53

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
SCHEMBL1311669 0.89 PIK3CA (0.82) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1309226 0.88 PIK3CA (0.64) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL908530 0.87 PIK3CA (0.62) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1310887 0.85 PIK3CA (0.60) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL1310883 0.85 PIK3CA (0.60) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL910378 0.84 PIK3CA (0.66) PIK3CAMTORPIK3R1
SCHEMBL1309999 0.82 PIK3CA (0.63) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL908397 0.82 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL15558168 0.81 PIK3CA (0.58) PIK3CAMTORPIK3R1PIK3CDPIK3CB
SCHEMBL18193166 0.81 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014005182-A1 PHOSPHOINOSITIDE 3-KINASE (PI3K) INHIBITORS MONASH UNIVERSITY (AU) 2014-01-09 WO disclosed
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 WO disclosed