SCHEMBL28299576

SCHEMBL28299576

O=CNc1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.48
PIK3CB P42338 10/20 0.48
PIK3CG P48736 10/20 0.48
PIK3CA P42336 9/20 0.48
MTOR P42345 2/20 0.43
TLR7 Q9NYK1 4/20 0.43
NUDT1 P36639 1/20 0.43
TLR9 Q9NR96 1/20 0.42

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
SCHEMBL28029216 0.87 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL28298285 0.83 NUDT1 (0.43) TLR7NUDT1TLR9
SCHEMBL28298228 0.82 PIK3CA (0.54) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL28299572 0.81 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28298218 0.80 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28299551 0.80 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL300894 0.80 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28299587 0.80 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL28298290 0.80 PIK3CG (0.43) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28298220 0.80 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPIK3CA

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