SCHEMBL4493309

SCHEMBL4493309

O=C(CC1CCCC1)Nc1n[nH]c2cc(-c3cccc(OC(F)(F)F)c3)ccc12

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.63
GSK3B P49841 4/20 0.59
AAK1 Q2M2I8 4/20 0.58
FGFR4 P22455 1/20 0.57
HDAC1 Q13547 7/20 0.52
HDAC2 Q92769 7/20 0.52
HDAC8 Q9BY41 7/20 0.52
ACHE P22303 3/20 0.51
GSK3A P49840 2/20 0.51
GAK O14976 2/20 0.50
STK16 O75716 2/20 0.50
BMP2K Q9NSY1 2/20 0.50

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
SCHEMBL4498585 0.92 GSK3B (0.64) HDAC6GSK3BAAK1FGFR4HDAC1
SCHEMBL4483758 0.88 HDAC1 (0.67) HDAC6GSK3BAAK1FGFR4HDAC1
SCHEMBL4502847 0.87 HDAC6 (0.67) HDAC6GSK3BAAK1FGFR4HDAC1
SCHEMBL4491665 0.86 HDAC1 (0.67) HDAC6GSK3BAAK1HDAC1HDAC2
SCHEMBL4484072 0.85 GSK3B (0.70) GSK3BAAK1HDAC1HDAC2HDAC8
SCHEMBL4495065 0.84 GSK3B (0.83) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4485659 0.83 GSK3B (0.75) HDAC6GSK3BHDAC1HDAC2HDAC8
SCHEMBL4479320 0.83 AAK1 (0.64) GSK3BAAK1ACHEGSK3A
SCHEMBL4487873 0.82 HDAC6 (0.66) HDAC6GSK3BFGFR4HDAC1HDAC2
SCHEMBL4483041 0.81 GSK3B (0.67) GSK3BAAK1ACHEGSK3A

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