SCHEMBL28298217

SCHEMBL28298217

O=CNc1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 15/20 0.47
PIK3CG P48736 15/20 0.47
PIK3CA P42336 15/20 0.47
PIK3CD O00329 14/20 0.47
CSNK2A1 P68400 2/20 0.35
ADORA1 P30542 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
SCHEMBL28299566 0.99 PIK3CB (0.47) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28028870 0.89 PIK3CB (0.47) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28029240 0.88 PIK3CB (0.48) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28299572 0.85 PIK3CD (0.47) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28298220 0.84 PIK3CD (0.52) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28298250 0.83 PIK3CA (0.66) PIK3CBPIK3CGPIK3CAPIK3CDADORA1
SCHEMBL28298209 0.83 PIK3CD (0.48) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL300811 0.83 PIK3CB (0.69) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28299551 0.83 PIK3CD (0.47) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1
SCHEMBL28299846 0.83 PIK3CD (0.49) PIK3CBPIK3CGPIK3CAPIK3CDCSNK2A1

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