SCHEMBL4492155

SCHEMBL4492155

COc1ccc(-c2ccc3c(NC(=O)NCCc4cccs4)n[nH]c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.54
HDAC1 Q13547 7/20 0.54
HDAC2 Q92769 7/20 0.54
HDAC8 Q9BY41 7/20 0.54
FGFR4 P22455 2/20 0.50
GSK3B P49841 6/20 0.47
CDK2 P24941 1/20 0.47
GSK3A P49840 1/20 0.47
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
FGFR2 P21802 1/20 0.46
FGFR3 P22607 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4557914 0.93 HDAC1 (0.57) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL12886246 0.87 HDAC6 (0.52) HDAC6FGFR4GSK3BCDK2GSK3A
SCHEMBL4485507 0.85 GSK3B (0.58) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4491092 0.85 HDAC6 (0.61) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL12886217 0.84 HDAC6 (0.58) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4559844 0.83 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4503672 0.83 HDAC6 (0.61) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL12886218 0.82 GSK3B (0.50) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4485793 0.82 MAPK1 (0.54) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4502964 0.82 HDAC1 (0.63) 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