SCHEMBL4491835

SCHEMBL4491835

COc1ccc(F)cc1-c1ccc2c(NC(=O)COc3ccc(Cl)cc3)n[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.63
HDAC1 Q13547 6/20 0.54
HDAC2 Q92769 6/20 0.54
HDAC8 Q9BY41 6/20 0.54
GSK3B P49841 9/20 0.51
FGFR1 P11362 2/20 0.49
FGFR2 P21802 2/20 0.49
FGFR4 P22455 2/20 0.49
FGFR3 P22607 2/20 0.49
CYP1A2 P05177 2/20 0.48

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
SCHEMBL4488997 0.92 HDAC1 (0.58) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4503894 0.90 HDAC1 (0.66) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4495354 0.88 HDAC1 (0.50) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4489278 0.87 GSK3B (0.52) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4499922 0.87 HDAC6 (0.71) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4503441 0.86 HDAC1 (0.56) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4502148 0.86 GSK3B (0.65) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4502974 0.84 HDAC6 (0.68) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4484179 0.83 GSK3B (0.59) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4505671 0.83 HDAC1 (0.63) 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