SCHEMBL4493566

SCHEMBL4493566

CC(=O)OC(C(=O)Nc1n[nH]c2cc(-c3ccc(Cl)c(Cl)c3)ccc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.54
GSK3B P49841 7/20 0.49
GSK3A P49840 1/20 0.47
FGFR1 P11362 2/20 0.47
FGFR2 P21802 2/20 0.47
FGFR3 P22607 2/20 0.47
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
AAK1 Q2M2I8 2/20 0.43

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
SCHEMBL4492880 0.92 HDAC6 (0.47) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4491583 0.91 GSK3B (0.53) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4560059 0.89 HDAC6 (0.56) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4503236 0.87 GSK3B (0.50) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4502553 0.87 HDAC6 (0.55) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4493437 0.87 HDAC6 (0.54) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4476038 0.86 GSK3B (0.52) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4496026 0.86 GSK3B (0.49) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4480572 0.86 FGFR1 (0.47) HDAC6GSK3BGSK3AFGFR1FGFR2
SCHEMBL4479666 0.85 GSK3B (0.58) HDAC6GSK3BGSK3AFGFR1FGFR2

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