SCHEMBL4493425

SCHEMBL4493425

O=C(COCc1ccccc1)Nc1n[nH]c2cc(-c3ccccc3)ccc12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.68
HDAC1 Q13547 1/20 0.63
HDAC2 Q92769 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
GSK3A P49840 2/20 0.60
FGFR1 P11362 1/20 0.58
FGFR2 P21802 1/20 0.58
FGFR3 P22607 1/20 0.58
HDAC6 Q9UBN7 1/20 0.57
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
CYP1A2 P05177 1/20 0.53

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
SCHEMBL4499197 0.94 GSK3B (0.67) GSK3BHDAC1HDAC2HDAC8GSK3A
SCHEMBL4490970 0.94 GSK3B (0.65) GSK3BHDAC1HDAC2HDAC8GSK3A
SCHEMBL4488182 0.92 HDAC1 (0.63) GSK3BHDAC1HDAC2HDAC8GSK3A
SCHEMBL4486825 0.92 GSK3B (0.64) GSK3BHDAC1HDAC2HDAC8GSK3A
SCHEMBL4486646 0.92 GSK3B (0.60) GSK3BHDAC1HDAC2HDAC8GSK3A
SCHEMBL4492931 0.92 GSK3B (0.61) GSK3BHDAC1HDAC2HDAC8GSK3A
SCHEMBL4480955 0.91 GSK3B (0.68) GSK3BHDAC1HDAC2HDAC8GSK3A
SCHEMBL4492626 0.91 GSK3B (0.68) GSK3BHDAC1HDAC2HDAC8GSK3A
SCHEMBL4506071 0.91 GSK3B (0.62) GSK3BHDAC1HDAC2HDAC8GSK3A
SCHEMBL4503064 0.91 GSK3B (0.60) GSK3BHDAC1HDAC2HDAC8GSK3A

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