SCHEMBL21596920

SCHEMBL21596920

Nc1onc2cc(-c3ncccn3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIP5K1C O60331 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
ADRB2 P07550 1/20 0.37
CLK4 Q9HAZ1 3/20 0.34
DYRK1A Q13627 3/20 0.34
BRD4 O60885 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
PIM1 P11309 2/20 0.32
PIM3 Q86V86 1/20 0.32

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
SCHEMBL21596921 0.83 PIK3CD (0.47) PIK3CDPI4KAPIK3CGPI4KBLMNA
SCHEMBL21596918 0.76 BRD4 (0.39) BRD4PIM1
SCHEMBL21596796 0.73 MAPK14 (0.42) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL15922137 0.72 KMT2A (0.41) DYRK1ALMNAMAPTMEN1HTT
SCHEMBL21596940 0.69 ENPP2 (0.45) LMNAMAPTMEN1HSP90AA1HTT
SCHEMBL16208442 0.66 TDP1 (0.56) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
Hydrochloric Acid SCHEMBL6648426 0.66 RAB9A (0.46) PI4KAPI4KBBRD4LMNAMAPT
SCHEMBL17691844 0.66 PIK3CD (0.44) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL17229023 0.66 CLK4 (0.42) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL13615869 0.66 CLK4 (0.42) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP disclosed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO disclosed