SCHEMBL7143772

SCHEMBL7143772

CC(=O)Nc1ccc(-c2ccnc(NCCNc3ccc([N+](=O)[O-])cn3)n2)cc1.c1ccc2[nH]c(CCCNc3nccc(-c4ccc(-c5ncc[nH]5)cc4)n3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
JAK2 O60674 3/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 2/20 0.38
JAK3 P52333 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RECQL P46063 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5094808 0.81 GAA (0.52) JAK2MKNK1MKNK2MAPTJAK3
SCHEMBL4398205 0.80 GSK3B (0.58) GSK3BMKNK1MKNK2MAPTSMN1; SMN2
SCHEMBL5100332 0.80 MMP2 (0.54) GSK3BMKNK1MKNK2MAPTL3MBTL1
SCHEMBL5095173 0.80 POLB (0.45) NPC1RAB9A
SCHEMBL5089385 0.74 NAMPT (0.44) GSK3BMKNK1MKNK2
SCHEMBL7143770 0.74 MKNK1 (0.45) GSK3BMKNK1MKNK2MAPTL3MBTL1
SCHEMBL5099347 0.71 GSK3B (0.50) GSK3BMKNK1MKNK2MAPTSMN1; SMN2
SCHEMBL5100147 0.71 POLB (0.48) MAPTSMN1; SMN2LMNA
SCHEMBL5093881 0.70 POLB (0.49) GSK3BMAPTL3MBTL1SMN1; SMN2THRB
SCHEMBL5093386 0.70 MKNK1 (0.53) GSK3BMKNK1MKNK2MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed