SCHEMBL4497998

SCHEMBL4497998

Cc1cc(C)cc(-c2ccc3c(NC(=O)c4ccco4)n[nH]c3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.65
FGFR4 P22455 1/20 0.59
GSK3A P49840 2/20 0.54
CDK2 P24941 1/20 0.54
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR3 P22607 1/20 0.51
MAPK1 P28482 1/20 0.50
GSK3B P49841 7/20 0.49
CYP1A2 P05177 1/20 0.47
MAPT P10636 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
SCHEMBL4495755 0.93 HDAC6 (0.55) HDAC6FGFR4GSK3ACDK2FGFR1
SCHEMBL4480839 0.89 MAPT (0.60) HDAC6FGFR4GSK3ACDK2FGFR1
SCHEMBL4494227 0.88 HDAC6 (0.65) HDAC6GSK3ACDK2FGFR1FGFR2
SCHEMBL4494101 0.86 HDAC6 (0.57) HDAC6GSK3ACDK2FGFR1FGFR2
SCHEMBL4483351 0.86 HDAC6 (0.53) HDAC6GSK3ACDK2FGFR1FGFR2
SCHEMBL4490916 0.86 GSK3B (0.59) HDAC6GSK3ACDK2FGFR1FGFR2
SCHEMBL4480767 0.85 MAPT (0.48) HDAC6FGFR4GSK3ACDK2FGFR1
SCHEMBL4496168 0.85 GSK3B (0.62) HDAC6GSK3ACDK2FGFR1FGFR2
SCHEMBL4490467 0.85 HDAC6 (0.52) HDAC6FGFR4GSK3ACDK2FGFR1
SCHEMBL4488599 0.85 HDAC6 (0.66) HDAC6FGFR4GSK3ACDK2FGFR1

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