SCHEMBL28298232

SCHEMBL28298232

NC1CCC(n2c(=O)[nH]c3c(NC=O)nc(-c4cccc(O)c4)nc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 16/20 0.59
PIK3CB P42338 15/20 0.59
PIK3CA P42336 15/20 0.59
PIK3CD O00329 15/20 0.59
MTOR P42345 2/20 0.36
CHKA P35790 1/20 0.35

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
SCHEMBL28873588 0.92 PIK3CA (0.67) PIK3CGPIK3CBPIK3CAPIK3CDMTOR
SCHEMBL28298250 0.91 PIK3CA (0.66) PIK3CGPIK3CBPIK3CAPIK3CDMTOR
SCHEMBL28299680 0.90 PIK3CA (0.58) PIK3CGPIK3CBPIK3CAPIK3CDMTOR
SCHEMBL28029218 0.88 PIK3CG (0.60) PIK3CGPIK3CBPIK3CAPIK3CDMTOR
SCHEMBL301304 0.82 PIK3CB (0.85) PIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL300794 0.82 PIK3CB (0.85) PIK3CGPIK3CBPIK3CAPIK3CD
SCHEMBL28028869 0.79 PIK3CA (0.68) PIK3CGPIK3CBPIK3CAPIK3CDMTOR
SCHEMBL28029209 0.79 PIK3CA (0.67) PIK3CGPIK3CBPIK3CAPIK3CDMTOR
SCHEMBL28028885 0.78 PIK3CA (0.58) PIK3CGPIK3CBPIK3CAPIK3CDMTOR
SCHEMBL28298228 0.78 PIK3CA (0.54) PIK3CGPIK3CBPIK3CAPIK3CDMTOR

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
CN-109846884-A With TOR kinase inhibitor for treating cancer 西格诺药品有限公司 2019-06-07 CN disclosed