SCHEMBL4497331

SCHEMBL4497331

O=C(Nc1n[nH]c2cc(-c3cccc(OC(F)(F)F)c3)ccc12)c1ccco1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.70
FGFR4 P22455 2/20 0.63
GSK3B P49841 1/20 0.54
FGFR1 P11362 2/20 0.52
FGFR2 P21802 1/20 0.52
FGFR3 P22607 1/20 0.52
CDK2 P24941 1/20 0.51
GSK3A P49840 1/20 0.51
HDAC1 Q13547 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC8 Q9BY41 5/20 0.47

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
SCHEMBL4494927 0.87 HDAC6 (0.69) HDAC6FGFR4FGFR1FGFR2FGFR3
SCHEMBL4483930 0.85 FGFR1 (0.73) HDAC6FGFR4GSK3BFGFR1FGFR2
SCHEMBL4494227 0.84 HDAC6 (0.65) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4480789 0.83 HDAC6 (0.74) HDAC6FGFR4GSK3BFGFR1FGFR2
SCHEMBL4495755 0.82 HDAC6 (0.55) HDAC6FGFR4GSK3BFGFR1FGFR2
SCHEMBL4495224 0.82 HDAC6 (0.67) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4497243 0.82 FGFR4 (0.75) HDAC6FGFR4GSK3BFGFR1FGFR2
SCHEMBL4490916 0.82 GSK3B (0.59) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4488599 0.81 HDAC6 (0.66) HDAC6FGFR4GSK3BFGFR1FGFR2
SCHEMBL4484020 0.81 HDAC6 (0.70) HDAC6FGFR4GSK3BFGFR1FGFR2

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