SCHEMBL4480598

SCHEMBL4480598

COc1ccc(-c2ccc3c(NC(=O)C(c4ccccc4)c4ccccc4)n[nH]c3c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.61
FGFR4 P22455 3/20 0.59
HDAC1 Q13547 7/20 0.58
HDAC2 Q92769 7/20 0.58
HDAC8 Q9BY41 7/20 0.58
GSK3B P49841 3/20 0.55
GSK3A P49840 1/20 0.54
FGFR1 P11362 2/20 0.53
FGFR2 P21802 2/20 0.53
FGFR3 P22607 2/20 0.53
MAPK1 P28482 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
SCHEMBL4494316 0.92 HDAC6 (0.64) HDAC6FGFR4HDAC1HDAC2HDAC8
SCHEMBL4502518 0.90 GSK3B (0.65) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4493150 0.88 HDAC6 (0.55) HDAC6FGFR4HDAC1HDAC2HDAC8
SCHEMBL4494821 0.88 HDAC6 (0.57) HDAC6FGFR4HDAC1HDAC2HDAC8
SCHEMBL4498346 0.88 GSK3B (0.62) HDAC6FGFR4HDAC1HDAC2HDAC8
SCHEMBL4496648 0.86 HDAC6 (0.58) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4480354 0.86 GSK3B (0.60) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4489254 0.85 HDAC6 (0.67) HDAC6FGFR4HDAC1HDAC2HDAC8
SCHEMBL4486394 0.85 HDAC6 (0.66) HDAC6FGFR4HDAC1HDAC2HDAC8
SCHEMBL4505011 0.85 HDAC6 (0.59) HDAC6FGFR4HDAC1HDAC2HDAC8

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