SCHEMBL4499787

SCHEMBL4499787

COc1ccc(F)cc1-c1ccc2c(NC(=O)CC3CCCC3)n[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.64
HDAC1 Q13547 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC8 Q9BY41 4/20 0.56
GSK3B P49841 4/20 0.55
ACHE P22303 2/20 0.51
AAK1 Q2M2I8 1/20 0.49
CYP1A2 P05177 1/20 0.48
FGFR1 P11362 2/20 0.48
FGFR2 P21802 2/20 0.48
FGFR4 P22455 2/20 0.48
FGFR3 P22607 1/20 0.48
GSK3A P49840 1/20 0.48

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
SCHEMBL4492020 0.91 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4486782 0.91 HDAC1 (0.68) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4498522 0.90 HDAC1 (0.55) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4502834 0.88 GSK3B (0.70) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4492264 0.88 HDAC1 (0.53) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4482515 0.86 GSK3B (0.71) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4499922 0.86 HDAC6 (0.71) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4494068 0.85 HDAC1 (0.54) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4483041 0.85 GSK3B (0.67) GSK3BACHEAAK1CYP1A2GSK3A
SCHEMBL4501634 0.84 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