SCHEMBL4494397

SCHEMBL4494397

COc1cccc(-c2ccc3c(NC(C)=O)n[nH]c3c2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.73
HDAC1 Q13547 7/20 0.70
HDAC2 Q92769 7/20 0.70
HDAC8 Q9BY41 7/20 0.70
FGFR4 P22455 1/20 0.64
FGFR1 P11362 2/20 0.60
AAK1 Q2M2I8 2/20 0.60
FGFR2 P21802 1/20 0.60
FGFR3 P22607 1/20 0.60
KDR P35968 1/20 0.59
DYRK1A Q13627 1/20 0.56

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
SCHEMBL4494131 0.89 HDAC6 (0.71) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4501685 0.87 HDAC1 (0.76) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4503079 0.87 HDAC6 (0.69) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4485328 0.87 HDAC1 (0.76) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4487384 0.87 HDAC1 (0.64) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4490399 0.86 HDAC1 (0.92) HDAC6HDAC1HDAC2HDAC8AAK1
SCHEMBL4487017 0.86 HDAC1 (0.81) HDAC6HDAC1HDAC2HDAC8
SCHEMBL4482771 0.85 HDAC1 (0.67) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4487525 0.85 GSK3B (0.73) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4481656 0.85 HDAC1 (0.85) HDAC6HDAC1HDAC2HDAC8AAK1

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