SCHEMBL4498152

SCHEMBL4498152

Cc1cccc(-c2ccc3c(NC(=O)NCCCO)n[nH]c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.52
HDAC6 Q9UBN7 1/20 0.49
HDAC1 Q13547 7/20 0.48
HDAC2 Q92769 7/20 0.48
HDAC8 Q9BY41 7/20 0.48
CYP1A2 P05177 1/20 0.48
AAK1 Q2M2I8 4/20 0.47
GSK3A P49840 2/20 0.47
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR3 P22607 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
SCHEMBL4502574 0.92 GSK3B (0.57) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4505096 0.91 GSK3B (0.51) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4492112 0.90 GSK3B (0.61) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4480187 0.89 GSK3B (0.59) GSK3BHDAC6CYP1A2FGFR1FGFR2
SCHEMBL4494624 0.88 GSK3B (0.53) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4488734 0.88 GSK3B (0.53) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4494923 0.87 AAK1 (0.64) GSK3BHDAC1HDAC2HDAC8AAK1
SCHEMBL4493584 0.87 HDAC1 (0.66) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL12886381 0.87 GSK3B (0.52) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4494405 0.86 GSK3B (0.55) 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