SCHEMBL13054899

SCHEMBL13054899

Cc1cc(Nc2cc(Nc3ccc4c(=O)[nH][nH]c4c3)nc3ccccc23)n[nH]1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.54
GSK3A P49840 2/20 0.54
SLC2A1 P11166 1/20 0.47
AURKA O14965 14/20 0.46
SRC P12931 8/20 0.46
AURKB Q96GD4 10/20 0.45
EIF2AK2 P19525 1/20 0.44
AURKC Q9UQB9 1/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL13925100 0.85 ULK1 (0.48) GSK3BSRCAURKBNTRK1
SCHEMBL13054452 0.83 AURKA (0.70) GSK3BGSK3AAURKASRCAURKB
SCHEMBL13054547 0.83 GRM4 (0.43) SLC2A1AURKAMEN1MAPTRAB9A
SCHEMBL13601862 0.82 GSK3B (0.56) GSK3BGSK3ASLC2A1AURKASRC
SCHEMBL13054762 0.82 GSK3B (0.52) GSK3BGSK3AAURKASRCAURKB
SCHEMBL13054730 0.82 GSK3B (0.52) GSK3BGSK3AAURKASRCAURKB
SCHEMBL14423488 0.82 GSK3B (0.52) GSK3BGSK3AAURKASRCAURKB
SCHEMBL13054909 0.79 GSK3B (0.49) GSK3BGSK3AAURKASRCAURKB
SCHEMBL13054516 0.78 AURKA (0.49) GSK3BGSK3AAURKASRCAURKB
SCHEMBL13054542 0.78 AURKA (0.45) AURKAAURKBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed