SCHEMBL31435562

SCHEMBL31435562

Cn1cc(-c2nc3c(s2)=CCCC=3)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
EPHX2 P34913 1/20 0.36
HDAC6 Q9UBN7 1/20 0.34
C1S P09871 1/20 0.34
FLT3 P36888 3/20 0.32
MAPK1 P28482 1/20 0.32
DYRK1A Q13627 1/20 0.31
CHEK1 O14757 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
PIM1 P11309 1/20 0.31
BRD4 O60885 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL16320341 0.70 PIK3CA (0.40) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3257666 0.67 KDR (0.40) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3259305 0.67 ALDH1A1 (0.49) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL26765998 0.65 FLT3 (0.38) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL26766253 0.65 IRAK1 (0.46) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL16341282 0.65 PIK3CD (0.36) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL16320096 0.65 PIK3CA (0.39) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL16321724 0.64 PIK3CD (0.35) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL28575534 0.64 MAPT (0.45) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL25408417 0.64 PIK3CD (0.43) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA

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-119661516-A Bicyclic heterocyclic compounds, preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2025-03-21 CN disclosed