SCHEMBL4489688

SCHEMBL4489688

COc1cc(C(=O)Nc2n[nH]c3cc(-c4cccc(F)c4)ccc23)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.61
GSK3A P49840 1/20 0.59
GSK3B P49841 1/20 0.59
FGFR1 P11362 4/20 0.54
FGFR2 P21802 4/20 0.54
FGFR3 P22607 3/20 0.54
FGFR4 P22455 1/20 0.53
ABCB1 P08183 1/20 0.52
ABCC1 P33527 1/20 0.52
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4503216 0.89 HDAC6 (0.61) HDAC6FGFR1FGFR2FGFR3FGFR4
SCHEMBL4559843 0.88 HDAC6 (0.68) HDAC6FGFR1FGFR2FGFR3FGFR4
SCHEMBL4484176 0.88 HDAC6 (0.60) HDAC6FGFR1FGFR2FGFR3FGFR4
SCHEMBL4494426 0.88 HDAC6 (0.61) HDAC6FGFR1FGFR2FGFR3ABCB1
SCHEMBL4497680 0.87 HDAC6 (0.79) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4497900 0.87 HDAC6 (0.67) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4489139 0.87 HDAC6 (0.69) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4504067 0.87 AAK1 (0.62) HDAC6FGFR1FGFR2FGFR3FGFR4
SCHEMBL4491909 0.86 HDAC6 (0.73) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4495749 0.86 HDAC6 (0.57) HDAC6GSK3BFGFR1FGFR2FGFR3

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