SCHEMBL4498402

SCHEMBL4498402

COc1cccc(CC(=O)Nc2n[nH]c3cc(-c4cc(F)ccc4OC)ccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.62
HDAC1 Q13547 10/20 0.56
HDAC2 Q92769 10/20 0.56
HDAC8 Q9BY41 10/20 0.56
FGFR4 P22455 3/20 0.51
FGFR1 P11362 3/20 0.51
FGFR2 P21802 3/20 0.51
FGFR3 P22607 2/20 0.51
GSK3B P49841 2/20 0.50
CYP1A2 P05177 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
SCHEMBL4490248 0.92 HDAC1 (0.62) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4490034 0.91 HDAC1 (0.66) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4559902 0.89 GSK3B (0.63) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4488476 0.88 HDAC1 (0.53) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4486349 0.88 HDAC1 (0.58) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4486219 0.87 HDAC1 (0.60) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4498073 0.85 HDAC1 (0.72) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4484125 0.84 HDAC1 (0.57) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4499922 0.84 HDAC6 (0.71) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4496581 0.84 HDAC1 (0.65) HDAC6HDAC1HDAC2HDAC8FGFR4

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