SCHEMBL28299780

SCHEMBL28299780

CC(C)c1ccccc1-n1c(=O)[nH]c2c(NC=O)nc(-c3cccc(O)c3)nc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.45
PIK3CB P42338 13/20 0.45
PIK3CG P48736 13/20 0.45
PIK3CA P42336 12/20 0.45
CSNK2A1 P68400 4/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL28029229 0.89 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28298209 0.88 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28299551 0.87 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28298220 0.87 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28298240 0.87 PIK3CD (0.43) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28299572 0.86 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28298242 0.86 PIK3CD (0.45) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28299846 0.84 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28299575 0.82 PIK3CD (0.46) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28299587 0.82 PIK3CD (0.47) 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