SCHEMBL4492020

SCHEMBL4492020

COc1ccc(F)cc1-c1ccc2c(NC(=O)CCC3CCCC3)n[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.62
HDAC1 Q13547 7/20 0.59
HDAC2 Q92769 7/20 0.59
HDAC8 Q9BY41 7/20 0.59
GSK3B P49841 7/20 0.55
CYP1A2 P05177 2/20 0.52
NPSR1 Q6W5P4 1/20 0.48
FGFR1 P11362 1/20 0.47
FGFR2 P21802 1/20 0.47
FGFR4 P22455 1/20 0.47
FGFR3 P22607 1/20 0.47

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
SCHEMBL4499787 0.91 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4486110 0.91 HDAC1 (0.71) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4494473 0.90 HDAC1 (0.58) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4504357 0.88 GSK3B (0.68) HDAC1HDAC2HDAC8GSK3BCYP1A2
SCHEMBL4476112 0.88 HDAC1 (0.56) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4489020 0.86 HDAC1 (0.56) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4487872 0.85 GSK3B (0.71) HDAC1HDAC2HDAC8GSK3BCYP1A2
SCHEMBL4482515 0.85 GSK3B (0.71) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4499922 0.84 HDAC6 (0.71) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4501634 0.83 GSK3B (0.71) HDAC6HDAC1HDAC2HDAC8GSK3B

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