SCHEMBL4503166

SCHEMBL4503166

CSc1ccccc1-c1ccc2c(NC(=O)c3c(F)cccc3F)n[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.60
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
FGFR4 P22455 4/20 0.49
GSK3B P49841 4/20 0.48
FGFR1 P11362 5/20 0.47
FGFR2 P21802 5/20 0.47
FGFR3 P22607 4/20 0.47
PLK4 O00444 1/20 0.47
MAPK13 O15264 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
FLT4 P35916 1/20 0.47
MAPK8 P45983 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
SCHEMBL4559632 0.92 HDAC6 (0.56) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4486337 0.90 HDAC6 (0.60) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4492281 0.86 HDAC6 (0.63) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4503189 0.85 HDAC6 (0.55) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4491338 0.85 HDAC6 (0.55) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4488985 0.82 HDAC6 (0.59) HDAC6FGFR4GSK3BFGFR1FGFR2
SCHEMBL4490432 0.82 HDAC6 (0.60) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4477062 0.82 HDAC6 (0.57) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4499175 0.81 HDAC6 (0.70) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4500708 0.81 GSK3B (0.67) 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