SCHEMBL5027000

SCHEMBL5027000

O=Nc1c(NCc2ccccc2)ncnc1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HUWE1 Q7Z6Z7 1/20 0.44
ACHE P22303 1/20 0.44
GALR3 O60755 2/20 0.44
NR2F2 P24468 2/20 0.44
EGFR P00533 2/20 0.44
RAB9A P51151 1/20 0.44
HRH4 Q9H3N8 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 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
SCHEMBL5025312 0.89 PIK3CB (0.53) ACHETSHRLMNAHTTSMN1; SMN2
SCHEMBL5026869 0.81 LMNA (0.48) HUWE1ACHEGALR3NR2F2EGFR
SCHEMBL5025315 0.81 HUWE1 (0.49) HUWE1ACHEGALR3NR2F2EGFR
SCHEMBL12806630 0.80 AURKA (0.45) EGFRTSHRLMNAALDH1A1GAA
SCHEMBL5025268 0.78 SLC29A1 (0.43) TSHRLMNAHTTPDE4APDE4B
SCHEMBL5031499 0.76 EGFR (0.50) GALR3NR2F2EGFRRAB9ATSHR
SCHEMBL5139421 0.76 JAK3 (0.39) TSHRLMNAHTTMAPK1SMN1; SMN2
SCHEMBL5099543 0.74 PDE4A (0.52) HUWE1ACHERAB9AHRH4TSHR
SCHEMBL5026861 0.73 EGFR (0.47) GALR3NR2F2EGFRRAB9ATSHR
SCHEMBL27741345 0.70 PIK3CB (0.56) ACHETSHRLMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101438288-A Regulation of phosphoryl transferase activity of glutamine synthetase CSIR CORP (ZA) 2009-05-20 CN disclosed
EP-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed