SCHEMBL4486750

SCHEMBL4486750

COc1cccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.59
HDAC2 Q92769 5/20 0.59
HDAC8 Q9BY41 5/20 0.59
FGFR1 P11362 2/20 0.56
HDAC6 Q9UBN7 7/20 0.56
FGFR4 P22455 2/20 0.51
FGFR2 P21802 2/20 0.49
FGFR3 P22607 2/20 0.49
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
AAK1 Q2M2I8 1/20 0.45
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 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
SCHEMBL4488374 0.93 HDAC6 (0.53) HDAC1HDAC2HDAC8FGFR1HDAC6
SCHEMBL4480802 0.90 CHRM3 (0.47) HDAC1HDAC2HDAC8FGFR1HDAC6
SCHEMBL4492892 0.88 HDAC6 (0.56) HDAC1HDAC2HDAC8FGFR1HDAC6
SCHEMBL4499391 0.88 AAK1 (0.61) GSK3AGSK3BAAK1
SCHEMBL12899166 0.87 GSK3B (0.56) FGFR1FGFR2FGFR3GSK3AGSK3B
SCHEMBL4482945 0.87 GSK3B (0.51) HDAC6GSK3AGSK3BAAK1
SCHEMBL12886233 0.86 GSK3B (0.45) GSK3AGSK3BAAK1TLR9TLR8
SCHEMBL12886077 0.86 HDAC6 (0.51) HDAC6GSK3AGSK3BAAK1
SCHEMBL4501959 0.85 FGFR1 (0.59) HDAC1HDAC2HDAC8FGFR1HDAC6
SCHEMBL4482265 0.85 HDAC1 (0.58) HDAC1HDAC2HDAC8FGFR1HDAC6

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