SCHEMBL5031499

SCHEMBL5031499

O=Nc1c(Cl)ncnc1NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.50
GALR3 O60755 2/20 0.50
NR2F2 P24468 2/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 5/20 0.49
HTT P42858 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4C Q9H3R0 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CDK2 P24941 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL5026861 0.79 EGFR (0.47) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL11110157 0.77 EGFR (0.57) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL30983851 0.77 KDM4C (0.72) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL4032806 0.77 EGFR (0.54) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL783719 0.77 KDM4C (0.72) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL29956286 0.77 EGFR (0.50) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL5027000 0.76 HUWE1 (0.44) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL11104154 0.76 EGFR (0.53) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL7034562 0.75 SMN1; SMN2 (0.41) EGFRGALR3NR2F2RAB9ALMNA
SCHEMBL7034564 0.75 SMN1; SMN2 (0.41) EGFRGALR3NR2F2RAB9ALMNA

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