SCHEMBL46482

SCHEMBL46482

C=C(NCCN(C)C)c1nc(-c2cccc(-c3cn4ncccc4n3)c2)no1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CAMK2D Q13557 1/20 0.34
GSK3B P49841 2/20 0.33
GAA P10253 1/20 0.33
MAP4K4 O95819 1/20 0.33
PDE4B Q07343 1/20 0.32
RAD52 P43351 1/20 0.32
SYK P43405 1/20 0.32
GRK5 P34947 1/20 0.32

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
SCHEMBL38209 0.89 GSK3B (0.43) FYNHDAC4HDAC1HDAC6CAMK2D
SCHEMBL45068 0.82 HPGD (0.38) FYNHDAC4HDAC1HDAC6CAMK2D
SCHEMBL994121 0.81 LMNA (0.46) MAP4K4RAD52
SCHEMBL44476 0.79 GAA (0.37) FYNHDAC4GAASYK
SCHEMBL44764 0.79 GAA (0.44) GSK3BGAA
SCHEMBL43893 0.78 GSK3B (0.44) HDAC4HDAC6GSK3BGAA
SCHEMBL43831 0.78 GAA (0.43) GSK3BGAA
SCHEMBL43913 0.77 GAA (0.43) GSK3BGAASYK
SCHEMBL44713 0.77 ALDH1A1 (0.42)
SCHEMBL44578 0.77 RAB9A (0.40) HDAC6GAA

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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed