SCHEMBL27560845

SCHEMBL27560845

CC(Nc1nccc(-n2cc(-c3ccco3)nc2-c2ccc(F)cc2)n1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.50
MAPK13 O15264 4/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
LYN P07948 1/20 0.50
MAPK1 P28482 1/20 0.50
AKT2 P31751 1/20 0.50
FLT4 P35916 1/20 0.50
FLT3 P36888 1/20 0.50
FRK P42685 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CSNK1G2 P78368 1/20 0.50
MAP4K2 Q12851 1/20 0.50
DYRK1A Q13627 1/20 0.50
ERBB4 Q15303 1/20 0.50

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
SCHEMBL6982663 1.00 LCK (0.50) LCKMAPK13PRKD3MAP4K4LYN
SCHEMBL27581646 0.90 LCK (0.53) LCKMAPK13PRKD3MAP4K4LYN
SCHEMBL6981895 0.90 LCK (0.53) LCKMAPK13PRKD3MAP4K4LYN
SCHEMBL27581600 0.87 LCK (0.52) LCKMAPK13PRKD3MAP4K4LYN
SCHEMBL6986643 0.87 LCK (0.52) LCKMAPK13PRKD3MAP4K4LYN
SCHEMBL6982941 0.86 LCK (0.47) LCKMAPK13PRKD3MAP4K4LYN
SCHEMBL27581701 0.86 LCK (0.47) LCKMAPK13PRKD3MAP4K4LYN
SCHEMBL27560843 0.86 LCK (0.57) LCKMAPK13PRKD3MAP4K4LYN
SCHEMBL6985098 0.86 LCK (0.57) LCKMAPK13PRKD3MAP4K4LYN
SCHEMBL6982948 0.85 LCK (0.48) LCKMAPK13PRKD3MAP4K4LYN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1378544-A Substituted azoles compounds NOVARTIS AG (CH) 2002-11-06 CN claimed
CN-1378544-A Substituted azoles compounds NOVARTIS AG (CH) 2002-11-06 CN disclosed