SCHEMBL4486349

SCHEMBL4486349

COc1cccc(CC(=O)Nc2n[nH]c3cc(-c4ccc(OC)cc4OC)ccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.58
HDAC2 Q92769 11/20 0.58
HDAC8 Q9BY41 11/20 0.58
HDAC6 Q9UBN7 4/20 0.55
FGFR1 P11362 3/20 0.53
FGFR2 P21802 2/20 0.53
FGFR4 P22455 2/20 0.53
FGFR3 P22607 2/20 0.53
GSK3B P49841 1/20 0.51
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
CCNA1 P78396 1/20 0.49

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
SCHEMBL4490034 0.93 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4496581 0.89 HDAC1 (0.65) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL4498073 0.88 HDAC1 (0.72) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4498402 0.88 HDAC6 (0.62) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4484125 0.88 HDAC1 (0.57) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4492791 0.86 HDAC1 (0.59) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4486219 0.86 HDAC1 (0.60) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4488476 0.86 HDAC1 (0.53) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4480712 0.85 HDAC1 (0.56) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4481114 0.85 GSK3B (0.58) HDAC1HDAC2HDAC8HDAC6FGFR1

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