SCHEMBL4493075

SCHEMBL4493075

CCOc1cccc(-c2ccc3c(NC(=O)CCC4CCCC4)n[nH]c3c2)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.70
HDAC2 Q92769 6/20 0.70
HDAC8 Q9BY41 6/20 0.70
FGFR1 P11362 2/20 0.64
FGFR2 P21802 1/20 0.64
FGFR3 P22607 1/20 0.64
HDAC6 Q9UBN7 2/20 0.62
GSK3B P49841 10/20 0.57
CYP1A2 P05177 1/20 0.53

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
SCHEMBL4491665 0.91 HDAC1 (0.67) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4502352 0.91 HDAC1 (0.70) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4498585 0.88 GSK3B (0.64) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4502345 0.86 FGFR1 (0.69) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4479144 0.86 GSK3B (0.71) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4484030 0.86 HDAC1 (0.59) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4505382 0.84 CYP1A2 (0.58) HDAC1HDAC2HDAC8GSK3BCYP1A2
SCHEMBL4500329 0.84 GSK3B (0.68) HDAC1HDAC2HDAC8GSK3BCYP1A2
SCHEMBL4505755 0.84 HDAC1 (0.68) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4504749 0.84 FGFR1 (0.69) HDAC1HDAC2HDAC8FGFR1FGFR2

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