SCHEMBL4486646

SCHEMBL4486646

O=C(COCc1ccccc1)Nc1n[nH]c2cc(-c3cccc(F)c3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.60
GSK3A P49840 2/20 0.60
CYP1A2 P05177 2/20 0.56
HDAC1 Q13547 7/20 0.54
HDAC2 Q92769 7/20 0.54
HDAC8 Q9BY41 7/20 0.54
GAK O14976 1/20 0.51
STK16 O75716 1/20 0.51
AAK1 Q2M2I8 1/20 0.51
BMP2K Q9NSY1 1/20 0.51
FGFR1 P11362 2/20 0.50
FGFR2 P21802 2/20 0.50
FGFR3 P22607 2/20 0.50
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL4490970 0.92 GSK3B (0.65) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4493425 0.92 GSK3B (0.68) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4503064 0.89 GSK3B (0.60) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4492931 0.88 GSK3B (0.61) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4488182 0.88 HDAC1 (0.63) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4505331 0.87 HDAC1 (0.55) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4495263 0.86 GSK3B (0.57) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4487820 0.86 GSK3B (0.59) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4495104 0.86 HDAC1 (0.67) GSK3BHDAC1HDAC2HDAC8FGFR1
SCHEMBL4492520 0.86 HDAC1 (0.65) GSK3BCYP1A2HDAC1HDAC2HDAC8

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