SCHEMBL4484694

SCHEMBL4484694

O=C(COCc1ccccc1)Nc1n[nH]c2cc(-c3cccc(OC(F)(F)F)c3)ccc12

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.63
FGFR4 P22455 2/20 0.61
GSK3B P49841 6/20 0.59
FGFR1 P11362 2/20 0.53
FGFR2 P21802 1/20 0.53
FGFR3 P22607 1/20 0.53
HDAC1 Q13547 7/20 0.52
HDAC2 Q92769 7/20 0.52
HDAC8 Q9BY41 7/20 0.52
GSK3A P49840 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
SCHEMBL4493717 0.93 GSK3B (0.69) HDAC6FGFR4GSK3BFGFR1FGFR2
SCHEMBL4495104 0.88 HDAC1 (0.67) HDAC6FGFR4GSK3BFGFR1FGFR2
SCHEMBL4493425 0.87 GSK3B (0.68) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4499919 0.86 FGFR1 (0.72) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4486646 0.86 GSK3B (0.60) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4487873 0.84 HDAC6 (0.66) HDAC6FGFR4GSK3BFGFR1FGFR2
SCHEMBL4495065 0.84 GSK3B (0.83) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4488182 0.84 HDAC1 (0.63) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4492931 0.84 GSK3B (0.61) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4490970 0.84 GSK3B (0.65) 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