SCHEMBL4483586

SCHEMBL4483586

O=C(CCc1ccccc1)Nc1n[nH]c2cc(-c3cccc(F)c3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.66
CYP1A2 P05177 2/20 0.64
GSK3A P49840 2/20 0.62
HDAC1 Q13547 4/20 0.61
HDAC2 Q92769 4/20 0.61
HDAC8 Q9BY41 4/20 0.61
HCAR2 Q8TDS4 1/20 0.54

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
SCHEMBL4497732 0.88 GSK3B (0.69) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4476487 0.87 GSK3B (0.62) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4486646 0.86 GSK3B (0.60) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4485935 0.85 HDAC1 (0.73) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4489106 0.85 GSK3B (0.66) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4500438 0.84 GSK3B (0.74) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4488327 0.83 GSK3B (0.69) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4488429 0.83 GSK3B (0.64) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4483114 0.83 HDAC1 (0.64) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4486931 0.82 GSK3B (0.66) GSK3BCYP1A2GSK3AHDAC1HDAC2

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