SCHEMBL4500710

SCHEMBL4500710

COc1cccc(CC(=O)Nc2n[nH]c3cc(-c4cccc(C(C)=O)c4)ccc23)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.62
HDAC2 Q92769 8/20 0.62
HDAC8 Q9BY41 8/20 0.62
HDAC6 Q9UBN7 3/20 0.59
FGFR2 P21802 3/20 0.55
FGFR3 P22607 3/20 0.55
FGFR4 P22455 3/20 0.55
FGFR1 P11362 3/20 0.54
GSK3B P49841 3/20 0.52
KDR P35968 1/20 0.49

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
SCHEMBL4498073 0.92 HDAC1 (0.72) HDAC1HDAC2HDAC8HDAC6FGFR2
SCHEMBL4491590 0.90 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6FGFR2
SCHEMBL4496581 0.89 HDAC1 (0.65) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL4491247 0.89 HDAC1 (0.65) HDAC1HDAC2HDAC8HDAC6FGFR2
SCHEMBL4492088 0.88 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC6FGFR2
SCHEMBL4559902 0.87 GSK3B (0.63) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL4479937 0.87 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6FGFR2
SCHEMBL4557773 0.85 GSK3B (0.64) HDAC1HDAC2HDAC8HDAC6FGFR2
SCHEMBL4494216 0.85 HDAC1 (0.59) HDAC1HDAC2HDAC8HDAC6FGFR2
SCHEMBL4488439 0.84 GSK3B (0.65) HDAC1HDAC2HDAC8HDAC6FGFR2

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