SCHEMBL4489154

SCHEMBL4489154

COc1ccccc1-c1ccc2c(NC(=O)N3CCNCC3)n[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.63
HDAC1 Q13547 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
FGFR1 P11362 4/20 0.51
FGFR2 P21802 3/20 0.51
FGFR4 P22455 2/20 0.49
GSK3B P49841 3/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
GSK3A P49840 2/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 2/20 0.45
HTR7 P34969 1/20 0.44

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
SCHEMBL4494040 0.92 HDAC6 (0.65) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4491630 0.90 HDAC6 (0.63) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL12886226 0.90 HDAC6 (0.63) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4491284 0.90 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4493488 0.90 HDAC6 (0.62) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL12886066 0.86 HDAC6 (0.58) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4490316 0.83 HDAC1 (0.63) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4494484 0.82 HDAC6 (0.74) HDAC6HDAC1HDAC2HDAC8FGFR1
SCHEMBL4493050 0.81 GSK3B (0.72) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4490606 0.81 GSK3B (0.58) HDAC6FGFR1FGFR2GSK3BGSK3A

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