SCHEMBL4487873

SCHEMBL4487873

CC(=O)OCC(=O)Nc1n[nH]c2cc(-c3cccc(OC(F)(F)F)c3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.66
GSK3B P49841 6/20 0.65
FGFR4 P22455 1/20 0.59
HDAC1 Q13547 7/20 0.57
HDAC2 Q92769 7/20 0.57
HDAC8 Q9BY41 7/20 0.57
FGFR1 P11362 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR3 P22607 1/20 0.53
CYP1A2 P05177 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
SCHEMBL4493825 0.91 GSK3B (0.78) HDAC6GSK3BFGFR4HDAC1HDAC2
SCHEMBL4495065 0.88 GSK3B (0.83) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4488446 0.86 HDAC1 (0.72) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4504740 0.85 GSK3B (0.64) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4506424 0.84 HDAC6 (0.63) HDAC6GSK3BFGFR4HDAC1HDAC2
SCHEMBL4484694 0.84 HDAC6 (0.63) HDAC6GSK3BFGFR4HDAC1HDAC2
SCHEMBL4491880 0.84 GSK3B (0.59) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4484521 0.83 HDAC6 (0.69) HDAC6GSK3BFGFR4HDAC1HDAC2
SCHEMBL4504265 0.83 GSK3B (0.58) GSK3BFGFR4HDAC1HDAC2HDAC8
SCHEMBL4483459 0.83 HDAC1 (0.67) HDAC6GSK3BHDAC1HDAC2HDAC8

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