SCHEMBL28298250

SCHEMBL28298250

O=CNc1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.66
PIK3CG P48736 15/20 0.66
PIK3CB P42338 13/20 0.66
PIK3CD O00329 12/20 0.66
MTOR P42345 2/20 0.43
MAP3K11 Q16584 1/20 0.42
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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 0.99 PIK3CA (0.67) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28299680 0.92 PIK3CA (0.58) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28298232 0.91 PIK3CG (0.59) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28029209 0.88 PIK3CA (0.67) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28028869 0.87 PIK3CA (0.68) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28298228 0.84 PIK3CA (0.54) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL28298217 0.83 PIK3CB (0.47) PIK3CAPIK3CGPIK3CBPIK3CDADORA1
SCHEMBL28299566 0.82 PIK3CB (0.47) PIK3CAPIK3CGPIK3CBPIK3CDADORA1
SCHEMBL28785408 0.82 PIK3CA (0.73) PIK3CAPIK3CGPIK3CBPIK3CDMTOR
SCHEMBL301238 0.81 PIK3CB (0.98) PIK3CAPIK3CGPIK3CBPIK3CD

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