SCHEMBL4488293

SCHEMBL4488293

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

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.75
GSK3B P49841 4/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC8 Q9BY41 4/20 0.56
DYRK1A Q13627 1/20 0.52
FGFR4 P22455 2/20 0.51
FGFR1 P11362 3/20 0.51
FGFR2 P21802 3/20 0.51
FGFR3 P22607 1/20 0.51
CYP1A2 P05177 1/20 0.49
GSK3A P49840 1/20 0.48
MAP2K4 P45985 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
SCHEMBL4490810 0.89 HDAC6 (0.71) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4499922 0.89 HDAC6 (0.71) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4502974 0.88 HDAC6 (0.68) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4494484 0.88 HDAC6 (0.74) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4491018 0.87 GSK3B (0.76) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4491046 0.87 HDAC6 (0.75) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4495723 0.87 HDAC6 (0.75) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4491911 0.86 GSK3B (0.72) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4493131 0.86 HDAC6 (0.73) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4497680 0.86 HDAC6 (0.79) HDAC6GSK3BHDAC1HDAC2HDAC8

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