SCHEMBL4485453

SCHEMBL4485453

O=C(CCC1CCCC1)Nc1n[nH]c2cc(-c3ccccc3F)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.68
HDAC2 Q92769 6/20 0.68
HDAC8 Q9BY41 6/20 0.68
HDAC6 Q9UBN7 1/20 0.58
GSK3B P49841 11/20 0.56
PLK4 O00444 1/20 0.52
MAPK13 O15264 1/20 0.52
DAPK3 O43293 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
CDK1 P06493 1/20 0.52
PIM1 P11309 1/20 0.52
CDK2 P24941 1/20 0.52
MARK3 P27448 1/20 0.52
FLT4 P35916 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
CDK8 P49336 1/20 0.52
CLK2 P49760 1/20 0.52
MAPK12 P53778 1/20 0.52

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
SCHEMBL4504357 0.90 GSK3B (0.68) HDAC1HDAC2HDAC8GSK3BCYP1A2
SCHEMBL4493364 0.89 GSK3B (0.59) HDAC1HDAC2HDAC8GSK3BCYP1A2
SCHEMBL4479144 0.87 GSK3B (0.71) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4486110 0.87 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4487872 0.86 GSK3B (0.71) HDAC1HDAC2HDAC8GSK3BPIM1
SCHEMBL4490073 0.86 GSK3B (0.56) HDAC1HDAC2HDAC8GSK3BCYP1A2
SCHEMBL4500329 0.85 GSK3B (0.68) HDAC1HDAC2HDAC8GSK3BCYP1A2
SCHEMBL4484030 0.85 HDAC1 (0.59) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4493490 0.83 GSK3B (0.72) HDAC1HDAC2HDAC8HDAC6GSK3B
SCHEMBL4485935 0.82 HDAC1 (0.73) 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