SCHEMBL5029646

SCHEMBL5029646

Nc1ncnc(O)c1NC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
BCAT2 O15382 1/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PRKDC P78527 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.43
BRD4 O60885 1/20 0.43
JAK2 O60674 2/20 0.42
TYK2 P29597 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42

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
SCHEMBL5031511 0.90 HDAC3 (0.51) HDAC3MAPK1HDAC1HDAC2NPC1
SCHEMBL9564884 0.85 HDAC1 (0.47) HDAC1RAB9AKMT2AMEN1MAPT
SCHEMBL5026848 0.78 KMT2A (0.47) HDAC3MAPK1HDAC1HDAC2NPC1
SCHEMBL5025278 0.78 KMT2A (0.47) HDAC3MAPK1HDAC1HDAC2NPC1
SCHEMBL653766 0.76 KMT2A (0.51) HDAC3MAPK1HDAC1HDAC2NPC1
SCHEMBL783675 0.73 ADORA3 (0.57) NPC1RAB9ABCAT2KMT2AMEN1
SCHEMBL655757 0.72 MITF (0.53) NPC1RAB9AKMT2AMEN1
SCHEMBL29920018 0.70 EGFR (0.58) NPC1RAB9AKMT2AMEN1HCAR3
SCHEMBL28936534 0.70 EGFR (0.58) NPC1RAB9AKMT2AMEN1HCAR3
SCHEMBL6499835 0.69 EGFR (0.65) NPC1RAB9AKMT2AMEN1HCAR3

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