SCHEMBL4491665

SCHEMBL4491665

CCOc1cccc(-c2ccc3c(NC(=O)CC4CCCC4)n[nH]c3c2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.67
HDAC2 Q92769 6/20 0.67
HDAC8 Q9BY41 6/20 0.67
FGFR1 P11362 2/20 0.66
FGFR2 P21802 1/20 0.66
FGFR3 P22607 1/20 0.66
HDAC6 Q9UBN7 3/20 0.64
AAK1 Q2M2I8 4/20 0.59
GSK3B P49841 3/20 0.54
ACHE P22303 2/20 0.52
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
SCHEMBL4493075 0.91 HDAC1 (0.70) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4483758 0.91 HDAC1 (0.67) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4502345 0.88 FGFR1 (0.69) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4493309 0.86 HDAC6 (0.63) HDAC1HDAC2HDAC8HDAC6AAK1
SCHEMBL4504749 0.86 FGFR1 (0.69) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4479320 0.85 AAK1 (0.64) AAK1GSK3BACHE
SCHEMBL4482949 0.85 HDAC1 (0.74) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4487690 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4483420 0.84 HDAC1 (0.74) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4480795 0.84 AAK1 (0.61) FGFR1FGFR2FGFR3AAK1GSK3B

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