SCHEMBL4489896

SCHEMBL4489896

COc1ccc(C(C)C)cc1-c1ccc2c(NC(=O)c3cccc(Cl)c3)n[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.57
FGFR2 P21802 6/20 0.55
FGFR1 P11362 5/20 0.55
FGFR3 P22607 4/20 0.55
FGFR4 P22455 3/20 0.55
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 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
SCHEMBL4483975 0.92 HDAC6 (0.60) HDAC6FGFR2FGFR1FGFR3FGFR4
SCHEMBL4493069 0.90 HDAC6 (0.67) HDAC6FGFR2FGFR1FGFR3FGFR4
SCHEMBL4483350 0.89 FGFR2 (0.65) HDAC6FGFR2FGFR1FGFR3FGFR4
SCHEMBL4493010 0.88 HDAC6 (0.74) HDAC6FGFR2FGFR1FGFR3FGFR4
SCHEMBL4483944 0.87 HDAC6 (0.55) HDAC6FGFR2FGFR1FGFR3FGFR4
SCHEMBL4503227 0.87 HDAC6 (0.65) HDAC6FGFR2FGFR1FGFR3FGFR4
SCHEMBL4480333 0.86 HDAC6 (0.53) HDAC6FGFR2FGFR1FGFR3FGFR4
SCHEMBL4501957 0.86 HDAC6 (0.61) HDAC6FGFR2FGFR1FGFR3FGFR4
SCHEMBL4505161 0.84 HDAC6 (0.59) HDAC6FGFR2FGFR1FGFR3FGFR4
SCHEMBL4485585 0.84 FGFR2 (0.63) HDAC6FGFR2FGFR1FGFR3FGFR4

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