SCHEMBL28299587

SCHEMBL28299587

CC(C)n1c(=O)[nH]c2c(NC=O)nc(-c3cccc(O)c3)nc21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.47
PIK3CB P42338 14/20 0.47
PIK3CG P48736 14/20 0.47
PIK3CA P42336 13/20 0.47
MTOR P42345 1/20 0.40
CDK1 P06493 1/20 0.38
IDH1 O75874 1/20 0.36
FYN P06241 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
SCHEMBL28821909 0.87 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL28298290 0.84 PIK3CG (0.43) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28299780 0.82 PIK3CD (0.45) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28298209 0.81 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL1750367 0.80 PIK3CD (0.58) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28298218 0.80 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28299576 0.80 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CAMTOR
SCHEMBL28299571 0.80 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28299551 0.80 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL28873588 0.79 PIK3CA (0.67) PIK3CDPIK3CBPIK3CGPIK3CAMTOR

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