SCHEMBL28299680

SCHEMBL28299680

O=CNc1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.58
PIK3CG P48736 14/20 0.58
PIK3CB P42338 12/20 0.58
PIK3CD O00329 11/20 0.58
MTOR P42345 5/20 0.46
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
MAP3K11 Q16584 1/20 0.37
FGR P09769 1/20 0.36
EPHA1 P21709 1/20 0.36
TXK P42681 1/20 0.36
FRK P42685 1/20 0.36
PTK6 Q13882 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
SCHEMBL28873588 0.93 PIK3CA (0.67) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28298250 0.92 PIK3CA (0.66) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28298232 0.90 PIK3CG (0.59) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28028885 0.88 PIK3CA (0.58) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL301311 0.81 PIK3CB (0.85) PIK3CAPIK3CGPIK3CBPIK3CD
SCHEMBL28028869 0.80 PIK3CA (0.68) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28029209 0.79 PIK3CA (0.67) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28298228 0.78 PIK3CA (0.54) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28029218 0.78 PIK3CG (0.60) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28299587 0.78 PIK3CD (0.47) PIK3CAPIK3CGPIK3CBPIK3CDMTOR

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