SCHEMBL4487117

SCHEMBL4487117

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

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.69
GSK3A P49840 2/20 0.61
HDAC6 Q9UBN7 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
FGFR1 P11362 2/20 0.57
FGFR2 P21802 2/20 0.57
FGFR3 P22607 2/20 0.57
CYP1A2 P05177 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
SCHEMBL4494393 0.88 GSK3B (0.68) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4504813 0.87 HDAC1 (0.65) GSK3BHDAC6HDAC1HDAC2HDAC8
SCHEMBL4487680 0.83 GSK3B (0.84) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL31060453 0.82 GSK3B (1.00) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4502518 0.82 GSK3B (0.65) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4493121 0.82 GSK3B (1.00) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4496312 0.82 GSK3B (0.60) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4487525 0.81 GSK3B (0.73) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4497518 0.79 GSK3B (0.76) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4498346 0.78 GSK3B (0.62) GSK3BGSK3AHDAC6HDAC1HDAC2

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