SCHEMBL4495065

SCHEMBL4495065

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

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.83
HDAC6 Q9UBN7 1/20 0.68
CYP1A2 P05177 2/20 0.64
HDAC1 Q13547 5/20 0.64
HDAC2 Q92769 5/20 0.64
HDAC8 Q9BY41 5/20 0.64

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
SCHEMBL1461479 0.91 GSK3B (1.00) GSK3BCYP1A2
SCHEMBL4487873 0.88 HDAC6 (0.66) GSK3BHDAC6CYP1A2HDAC1HDAC2
SCHEMBL4487017 0.88 HDAC1 (0.81) GSK3BHDAC6CYP1A2HDAC1HDAC2
SCHEMBL4498585 0.87 GSK3B (0.64) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4484521 0.85 HDAC6 (0.69) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4493309 0.84 HDAC6 (0.63) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4484694 0.84 HDAC6 (0.63) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4506424 0.84 HDAC6 (0.63) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL31060453 0.83 GSK3B (1.00) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4493121 0.83 GSK3B (1.00) GSK3BCYP1A2HDAC1HDAC2HDAC8

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