SCHEMBL4481114

SCHEMBL4481114

COc1ccc(-c2ccc3c(NC(=O)COCc4ccccc4)n[nH]c3c2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.58
HDAC1 Q13547 8/20 0.56
HDAC2 Q92769 8/20 0.56
HDAC8 Q9BY41 8/20 0.56
HDAC6 Q9UBN7 3/20 0.54
FGFR4 P22455 2/20 0.49
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
FLT3 P36888 3/20 0.49
KIT P10721 1/20 0.48

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
SCHEMBL4498895 0.93 GSK3B (0.58) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4494583 0.91 HDAC1 (0.68) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4495104 0.87 HDAC1 (0.67) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4492791 0.87 HDAC1 (0.59) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4486349 0.85 HDAC1 (0.58) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4492050 0.85 HDAC6 (0.63) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4495217 0.84 HDAC1 (0.56) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4486504 0.84 GSK3B (0.60) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4482189 0.83 GSK3B (0.59) GSK3BHDAC1HDAC2HDAC8HDAC6
SCHEMBL4493425 0.83 GSK3B (0.68) GSK3BHDAC1HDAC2HDAC8HDAC6

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