SCHEMBL28299574

SCHEMBL28299574

O=CNc1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.58
PIK3CB P42338 7/20 0.58
PIK3CG P48736 7/20 0.58
PIK3CA P42336 6/20 0.58
CSNK2A1 P68400 10/20 0.47
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAP3K11 Q16584 1/20 0.39

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
SCHEMBL28299571 0.87 PIK3CD (0.53) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28298220 0.86 PIK3CD (0.52) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28299568 0.85 PIK3CD (0.50) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28298244 0.83 CSNK2A1 (0.56) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28298218 0.83 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28299846 0.82 PIK3CD (0.49) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28299572 0.81 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28298209 0.81 PIK3CD (0.48) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL300865 0.81 PIK3CD (0.84) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1
SCHEMBL28299551 0.80 PIK3CD (0.47) PIK3CDPIK3CBPIK3CGPIK3CACSNK2A1

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