SCHEMBL4494627

SCHEMBL4494627

O=C(COCc1ccccc1)Nc1n[nH]c2cc(-c3ccc(Cl)c(Cl)c3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.60
HDAC6 Q9UBN7 1/20 0.56
HDAC1 Q13547 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR3 P22607 1/20 0.51
GSK3A P49840 1/20 0.49
AURKB Q96GD4 1/20 0.48
STK17A Q9UEE5 1/20 0.48
CDK1 P06493 1/20 0.48
CDK2 P24941 1/20 0.48

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
SCHEMBL4495263 0.91 GSK3B (0.57) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4493425 0.91 GSK3B (0.68) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4488182 0.89 HDAC1 (0.63) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4490970 0.87 GSK3B (0.65) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4499197 0.87 GSK3B (0.67) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4503064 0.86 GSK3B (0.60) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4506071 0.86 GSK3B (0.62) GSK3BHDAC1HDAC2HDAC8FGFR1
SCHEMBL4489308 0.86 GSK3B (0.62) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4492931 0.85 GSK3B (0.61) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4486825 0.85 GSK3B (0.64) GSK3BHDAC6HDAC1HDAC2HDAC8

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