SCHEMBL4491832

SCHEMBL4491832

COc1cccc(-c2ccc3c(NC(=O)N4CCN(C)CC4)n[nH]c3c2)c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.63
HDAC2 Q92769 7/20 0.63
HDAC8 Q9BY41 7/20 0.63
HDAC6 Q9UBN7 6/20 0.62
FGFR1 P11362 4/20 0.59
FGFR4 P22455 2/20 0.56
FGFR2 P21802 3/20 0.52
FGFR3 P22607 2/20 0.52
GSK3A P49840 1/20 0.49
GSK3B P49841 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
SCHEMBL4496861 0.92 HDAC1 (0.63) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4502572 0.92 HDAC1 (0.65) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4506085 0.91 HDAC1 (0.64) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4489355 0.91 HDAC6 (0.60) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4490316 0.90 HDAC1 (0.63) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4489163 0.89 HDAC1 (0.62) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4502391 0.89 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4476288 0.89 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC6FGFR1
SCHEMBL4498065 0.87 AAK1 (0.50) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL4503605 0.86 FGFR1 (0.57) 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