SCHEMBL4489466

SCHEMBL4489466

N#Cc1cccc(-c2ccc3c(NC(=O)C(c4ccccc4)c4ccccc4)n[nH]c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.54
GSK3A P49840 3/20 0.52
HDAC6 Q9UBN7 2/20 0.50
MAPK1 P28482 1/20 0.50
FGFR1 P11362 2/20 0.48
FGFR2 P21802 2/20 0.48
FGFR3 P22607 2/20 0.48
AAK1 Q2M2I8 7/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
ITK Q08881 1/20 0.47

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
SCHEMBL4486679 0.92 GSK3B (0.64) GSK3BGSK3AHDAC6MAPK1FGFR1
SCHEMBL4502518 0.88 GSK3B (0.65) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4498312 0.87 GSK3B (0.49) GSK3BGSK3AHDAC6MAPK1FGFR1
SCHEMBL4493555 0.86 AAK1 (0.60) GSK3BGSK3AHDAC6MAPK1AAK1
SCHEMBL4504699 0.84 GSK3B (0.56) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4482990 0.84 GSK3B (0.65) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4498346 0.82 GSK3B (0.62) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4480354 0.82 GSK3B (0.60) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4494316 0.82 HDAC6 (0.64) GSK3BGSK3AHDAC6FGFR1FGFR2
SCHEMBL4491805 0.82 AAK1 (0.67) GSK3BGSK3AHDAC6FGFR1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed