SCHEMBL4979093

SCHEMBL4979093

O=[N+]([O-])c1ccc(NC[CH]c2nccc(-c3ccccc3-c3c[nH]cn3)n2)nc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 1/20 0.43
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
KMT2A Q03164 7/20 0.38
MAPT P10636 7/20 0.38
MEN1 O00255 6/20 0.38
LMNA P02545 2/20 0.38
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37
RAB9A P51151 5/20 0.37
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 3/20 0.37
GAA P10253 2/20 0.37
CCR6 P51684 1/20 0.36
HTT P42858 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
SCHEMBL4398202 0.83 MKNK1 (0.53) SMN1; SMN2POLBMKNK1MKNK2KMT2A
SCHEMBL7852170 0.69 GSK3B (0.60) SMN1; SMN2POLBMKNK1MKNK2KMT2A
SCHEMBL7852854 0.69 GSK3B (0.52) SMN1; SMN2POLBMKNK1MKNK2KMT2A
SCHEMBL7022502 0.69 MEN1 (0.43) SMN1; SMN2POLBMKNK1MKNK2KMT2A
SCHEMBL7856684 0.69 SMN1; SMN2 (0.53) SMN1; SMN2POLBMKNK1MKNK2KMT2A
SCHEMBL5091775 0.68 MAPT (0.43) SMN1; SMN2POLBMKNK1MKNK2KMT2A
SCHEMBL5100320 0.67 MKNK1 (0.49) SMN1; SMN2POLBMKNK1MKNK2KMT2A
SCHEMBL7974376 0.65 SMN1; SMN2 (0.50) SMN1; SMN2POLBMKNK1MKNK2KMT2A
SCHEMBL8898674 0.65 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2AMAPTMEN1
SCHEMBL7017026 0.65 SMN1; SMN2 (0.58) SMN1; SMN2POLBKMT2AMAPTMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653970-A4 GSK-3 INHIBITORS AND USES THEREOF NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-10-15 EP disclosed
EP-1653970-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2006-05-10 EP disclosed
WO-2005039485-A2 GSK-3 INHIBITORS AND USES THEREOF CHIRON CORPORATION (US) 2005-05-06 WO disclosed
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
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed