SCHEMBL4496068

SCHEMBL4496068

Cc1cc(C)cc(-c2ccc3c(NC(=O)c4c(F)ccc(F)c4F)n[nH]c3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.65
FGFR4 P22455 1/20 0.56
GSK3B P49841 6/20 0.52
CYP1A2 P05177 1/20 0.52
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
TRPA1 O75762 1/20 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
SCHEMBL4480610 0.92 HDAC6 (0.54) HDAC6FGFR4GSK3BCYP1A2FGFR1
SCHEMBL4488340 0.90 HDAC6 (0.66) HDAC6FGFR4GSK3BCYP1A2FGFR1
SCHEMBL4489306 0.89 HDAC6 (0.57) HDAC6GSK3BCYP1A2FGFR1FGFR2
SCHEMBL4487610 0.86 HDAC6 (0.56) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4490063 0.86 HDAC6 (0.60) HDAC6GSK3BCYP1A2FGFR1FGFR2
SCHEMBL4483704 0.85 HDAC6 (0.50) HDAC6FGFR4GSK3BCYP1A2FGFR1
SCHEMBL4486581 0.85 HDAC6 (0.60) HDAC6FGFR4GSK3BCYP1A2FGFR1
SCHEMBL4504223 0.85 GSK3B (0.62) HDAC6GSK3BCYP1A2FGFR1FGFR2
SCHEMBL4485957 0.85 HDAC6 (0.53) HDAC6GSK3BCYP1A2FGFR1FGFR2
SCHEMBL4488965 0.85 HDAC6 (0.53) HDAC6GSK3BCYP1A2FGFR1FGFR2

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