SCHEMBL4491471

SCHEMBL4491471

CC(=O)OCC(=O)Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.64
HDAC1 Q13547 4/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
CYP1A2 P05177 2/20 0.54
HDAC6 Q9UBN7 2/20 0.53
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR4 P22455 1/20 0.50
FGFR3 P22607 1/20 0.50

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
SCHEMBL4505333 0.92 GSK3B (0.58) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4482168 0.90 GSK3B (0.66) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4502974 0.89 HDAC6 (0.68) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4482259 0.89 HDAC1 (0.67) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4494951 0.86 GSK3B (0.78) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4491911 0.86 GSK3B (0.72) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4504740 0.85 GSK3B (0.64) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4484292 0.84 GSK3B (0.58) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4497751 0.84 GSK3B (0.70) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4503653 0.82 HDAC1 (0.65) GSK3BHDAC1HDAC2HDAC8CYP1A2

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