SCHEMBL4497780

SCHEMBL4497780

Cc1cc(C)cc(-c2ccc3c(NC(=O)CCC4CCCC4)n[nH]c3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.60
CYP1A2 P05177 3/20 0.57
HDAC6 Q9UBN7 1/20 0.56

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
SCHEMBL4503133 0.93 GSK3B (0.70) GSK3BCYP1A2
SCHEMBL4500078 0.90 GSK3B (0.57) GSK3BCYP1A2
SCHEMBL4485536 0.90 HDAC6 (0.58) GSK3BCYP1A2HDAC6
SCHEMBL4479144 0.88 GSK3B (0.71) GSK3BCYP1A2HDAC6
SCHEMBL4487872 0.87 GSK3B (0.71) GSK3BCYP1A2
SCHEMBL4500388 0.86 GSK3B (0.56) GSK3BCYP1A2
SCHEMBL4486136 0.86 GSK3B (0.54) GSK3BCYP1A2
SCHEMBL4493654 0.86 GSK3B (0.74) GSK3BCYP1A2
SCHEMBL4505755 0.86 HDAC1 (0.68) GSK3BHDAC6
SCHEMBL4493364 0.85 GSK3B (0.59) GSK3BCYP1A2

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