SCHEMBL4498995

SCHEMBL4498995

COc1ccc(F)cc1-c1ccc2c(NC(=O)c3cc(F)c(F)c(F)c3F)n[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.71
FGFR4 P22455 5/20 0.56
FGFR1 P11362 8/20 0.53
FGFR2 P21802 8/20 0.53
FGFR3 P22607 2/20 0.53
GSK3B P49841 1/20 0.52
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 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
SCHEMBL4491126 0.92 HDAC6 (0.60) HDAC6FGFR4FGFR1FGFR2FGFR3
SCHEMBL4494594 0.92 HDAC6 (0.67) HDAC6FGFR4FGFR1FGFR2FGFR3
SCHEMBL4491046 0.90 HDAC6 (0.75) HDAC6FGFR4FGFR1FGFR2FGFR3
SCHEMBL4491176 0.89 HDAC6 (0.57) HDAC6FGFR4FGFR1FGFR2FGFR3
SCHEMBL4496111 0.88 GSK3B (0.65) HDAC6FGFR4FGFR1FGFR2FGFR3
SCHEMBL4494888 0.88 HDAC6 (0.72) HDAC6FGFR4FGFR1FGFR2FGFR3
SCHEMBL4495723 0.88 HDAC6 (0.75) HDAC6FGFR4FGFR1FGFR2FGFR3
SCHEMBL4489909 0.86 HDAC6 (0.54) HDAC6FGFR4FGFR1FGFR2FGFR3
SCHEMBL4558871 0.86 FGFR4 (0.57) HDAC6FGFR4FGFR1FGFR2FGFR3
SCHEMBL4500913 0.86 HDAC6 (0.81) HDAC6FGFR4FGFR1FGFR2FGFR3

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