SCHEMBL4496491

SCHEMBL4496491

CSc1ccccc1-c1ccc2c(NC(=O)C(C)Oc3ccccc3)n[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.47
GSK3B P49841 5/20 0.46
FGFR1 P11362 2/20 0.46
FGFR2 P21802 2/20 0.46
FGFR3 P22607 2/20 0.46
ADORA3 P0DMS8 3/20 0.45
ADORA2A P29274 3/20 0.45
ADORA1 P30542 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
GSK3A P49840 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4486198 0.87 AAK1 (0.52) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4481808 0.87 HDAC6 (0.59) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4496312 0.86 GSK3B (0.60) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4502109 0.86 HDAC6 (0.63) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4494521 0.84 GSK3B (0.49) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4485688 0.83 FGFR1 (0.55) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4490547 0.83 GSK3B (0.58) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4484485 0.83 ADORA3 (0.49) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4490306 0.82 HDAC6 (0.52) HDAC6GSK3BFGFR1FGFR2FGFR3
SCHEMBL4503333 0.82 GSK3B (0.58) HDAC6GSK3BFGFR1FGFR2FGFR3

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