SCHEMBL7143770

SCHEMBL7143770

NC(CCCn1cnc2ccccc21)(C(=O)Nc1ccc(-c2ccnc(NCCNc3ccc([N+](=O)[O-])cn3)n2)cc1)c1nccc(-c2ccc(-c3ncc[nH]3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
GSK3B P49841 1/20 0.37
PKM P14618 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
STAT1 P42224 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4398205 0.76 GSK3B (0.58) MKNK1MKNK2GSK3BSMN1; SMN2ALDH1A1
SCHEMBL7143772 0.74 GSK3B (0.41) MKNK1MKNK2GSK3BPKMSMN1; SMN2
SCHEMBL5095187 0.73 MKNK1 (0.41) MKNK1MKNK2SMN1; SMN2ALDH1A1MAPT
SCHEMBL7143768 0.72 MKNK1 (0.43) MKNK1MKNK2
SCHEMBL5100325 0.71 MKNK2 (0.75) MKNK1MKNK2SMN1; SMN2ALDH1A1MAPT
SCHEMBL5100332 0.69 MMP2 (0.54) MKNK1MKNK2GSK3BSMN1; SMN2L3MBTL1
SCHEMBL5094808 0.69 GAA (0.52) MKNK1MKNK2MAPTKDM4E
SCHEMBL5089535 0.66 MKNK1 (0.50) MKNK1MKNK2GSK3BSMN1; SMN2
SCHEMBL5093386 0.66 MKNK1 (0.53) MKNK1MKNK2GSK3BSMN1; SMN2ALDH1A1
SCHEMBL5099347 0.66 GSK3B (0.50) MKNK1MKNK2GSK3BSMN1; SMN2ALDH1A1

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