SCHEMBL4503441

SCHEMBL4503441

COc1ccc(-c2ccc3c(NC(=O)COc4ccc(Cl)cc4)n[nH]c3c2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.56
HDAC2 Q92769 11/20 0.56
HDAC8 Q9BY41 11/20 0.56
FGFR1 P11362 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR4 P22455 1/20 0.53
FGFR3 P22607 1/20 0.53
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
HDAC6 Q9UBN7 2/20 0.52
GSK3B P49841 4/20 0.51

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
SCHEMBL4488997 0.93 HDAC1 (0.58) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4503894 0.91 HDAC1 (0.66) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4492791 0.88 HDAC1 (0.59) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4479929 0.87 HDAC1 (0.67) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4491835 0.86 HDAC6 (0.63) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4495217 0.86 HDAC1 (0.56) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4495354 0.85 HDAC1 (0.50) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4503201 0.84 GSK3B (0.59) HDAC1HDAC2HDAC8FGFR1FGFR2
SCHEMBL4497913 0.83 GSK3B (0.59) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4499827 0.82 GSK3B (0.64) HDAC1HDAC2HDAC8HDAC6GSK3B

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