SCHEMBL5025315

SCHEMBL5025315

Nc1c(NCc2ccccc2)ncnc1N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HUWE1 Q7Z6Z7 1/20 0.49
EGFR P00533 3/20 0.47
ACHE P22303 1/20 0.47
GALR3 O60755 2/20 0.47
NR2F2 P24468 2/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 2/20 0.46
HRH4 Q9H3N8 2/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
ABCC1 P33527 1/20 0.45

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
SCHEMBL5026869 0.84 LMNA (0.48) HUWE1EGFRACHEGALR3NR2F2
SCHEMBL5027000 0.81 HUWE1 (0.44) HUWE1EGFRACHEGALR3NR2F2
SCHEMBL5091158 0.79 PDE4A (0.56) ACHEHTTHRH4ALDH1A1GAA
SCHEMBL5099543 0.77 PDE4A (0.52) HUWE1ACHERAB9AHTTHRH4
SCHEMBL5093812 0.76 SLC29A1 (0.46) HTTLMNAALDH1A1GAAPDE4A
SCHEMBL30983851 0.74 KDM4C (0.72) EGFRGALR3NR2F2RAB9AHTT
SCHEMBL783719 0.74 KDM4C (0.72) EGFRGALR3NR2F2RAB9AHTT
SCHEMBL27741345 0.73 PIK3CB (0.56) ACHEHTTLMNATSHRSMN1; SMN2
SCHEMBL27631854 0.72 RPS6KB1 (0.47) EGFRHPGD
SCHEMBL9159049 0.72 HTT (0.61) HTTLMNATSHRMAPK1SMN1; 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