SCHEMBL4498066

SCHEMBL4498066

O=C(Nc1n[nH]c2cc(-c3ccc(F)c(Cl)c3)ccc12)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.58
GSK3B P49841 4/20 0.51
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4493310 0.94 HDAC6 (0.64) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4503174 0.90 HDAC6 (0.55) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4488442 0.90 HDAC6 (0.65) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4496084 0.88 GSK3B (0.60) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4502157 0.88 HDAC6 (0.51) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4500881 0.87 HDAC6 (0.62) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4494493 0.86 GSK3B (0.57) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4475921 0.85 HDAC6 (0.53) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4491058 0.85 HDAC6 (0.58) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4490063 0.85 HDAC6 (0.60) HDAC6GSK3BFGFR1FGFR2FGFR3

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