SCHEMBL5758549

SCHEMBL5758549

Nc1ccnc2ccc(-c3ncccn3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.56
NCF1 P14598 1/20 0.53
PIK3CD O00329 2/20 0.49
PIK3CG P48736 2/20 0.49
PIP5K1C O60331 1/20 0.49
PI4KA P42356 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HTT P42858 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
SOS2 Q07890 1/20 0.43
PIK3CA P42336 2/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL29061683 0.82 MAP4K4 (0.60) NR4A2NCF1PIK3CDPIK3CGPI4KA
SCHEMBL4151090 0.82 MAP4K4 (0.60) NR4A2NCF1PIK3CDPIK3CGPI4KA
SCHEMBL16459814 0.78 NR4A2 (0.55) NR4A2NCF1PIK3CDPIK3CGMAPT
SCHEMBL4823097 0.75 NR4A2 (0.66) NR4A2NCF1PIK3CDPIK3CGMAPT
SCHEMBL30210360 0.75 NR4A2 (0.66) NR4A2NCF1PIK3CDPIK3CGMAPT
SCHEMBL12281648 0.74 DYRK1B (0.73) MAP4K4DYRK1A
SCHEMBL4154078 0.73 NR4A2 (0.50) NR4A2NCF1PIK3CDPIK3CGMAPT
SCHEMBL4155195 0.73 NR4A2 (0.54) NR4A2NCF1PIK3CDPIK3CGSOS2
SCHEMBL4146183 0.73 NR4A2 (0.50) NR4A2NCF1PIK3CDPIK3CGSOS2
SCHEMBL24151244 0.73 TGFBR1 (0.53) NR4A2NCF1PIK3CDPIK3CGPIK3CA

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
EP-1339706-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-04-19 EP disclosed