SCHEMBL4490467

SCHEMBL4490467

Cc1ccccc1-c1ccc2c(NC(=O)c3ccco3)n[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.52
MAPK1 P28482 1/20 0.51
GSK3B P49841 3/20 0.50
GSK3A P49840 2/20 0.50
CDK2 P24941 1/20 0.50
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
MAPT P10636 1/20 0.47
FGFR4 P22455 2/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC8 Q9BY41 3/20 0.45

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
SCHEMBL4480767 0.90 MAPT (0.48) HDAC6MAPK1GSK3BGSK3ACDK2
SCHEMBL4483351 0.88 HDAC6 (0.53) HDAC6MAPK1GSK3BGSK3ACDK2
SCHEMBL4494277 0.88 HDAC6 (0.68) HDAC6MAPK1GSK3BGSK3ACDK2
SCHEMBL4480839 0.87 MAPT (0.60) HDAC6MAPK1GSK3BGSK3ACDK2
SCHEMBL4493562 0.87 HDAC6 (0.69) HDAC6MAPK1GSK3BGSK3ACDK2
SCHEMBL4494227 0.86 HDAC6 (0.65) HDAC6MAPK1GSK3BGSK3ACDK2
SCHEMBL4497998 0.85 HDAC6 (0.65) HDAC6MAPK1GSK3BGSK3ACDK2
SCHEMBL4504340 0.84 HDAC6 (0.56) HDAC6MAPK1GSK3BGSK3ACDK2
SCHEMBL4495755 0.84 HDAC6 (0.55) HDAC6MAPK1GSK3BGSK3ACDK2
SCHEMBL4494101 0.82 HDAC6 (0.57) HDAC6MAPK1GSK3BGSK3ACDK2

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