SCHEMBL4499137

SCHEMBL4499137

COc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)C(C)C)n[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.55
HDAC1 Q13547 6/20 0.51
HDAC2 Q92769 6/20 0.51
HDAC8 Q9BY41 6/20 0.51
AAK1 Q2M2I8 1/20 0.48
FGFR4 P22455 2/20 0.43
KDR P35968 1/20 0.43
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
GSK3B P49841 2/20 0.43
FGFR3 P22607 1/20 0.43

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
SCHEMBL4484061 0.89 HDAC6 (0.54) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4488789 0.89 HDAC6 (0.56) HDAC6HDAC1HDAC2HDAC8AAK1
SCHEMBL4488079 0.88 HDAC1 (0.56) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4490810 0.88 HDAC6 (0.71) HDAC6HDAC1HDAC2HDAC8AAK1
SCHEMBL4495009 0.87 HDAC6 (0.51) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4485209 0.86 HDAC6 (0.70) HDAC6HDAC1HDAC2HDAC8AAK1
SCHEMBL4493069 0.86 HDAC6 (0.67) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4495192 0.86 GSK3B (0.59) HDAC1HDAC2HDAC8AAK1GSK3B
SCHEMBL4490284 0.86 HDAC6 (0.51) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4494626 0.85 HDAC1 (0.54) HDAC6HDAC1HDAC2HDAC8GSK3B

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