SCHEMBL7592839

SCHEMBL7592839

CC(Nc1nccc(-n2cnc3cc(-c4ccnc(Cl)n4)ccc32)n1)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.80
JAK2 O60674 1/20 0.60
JAK3 P52333 1/20 0.60
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
CAMK2D Q13557 1/20 0.44
MAPK13 O15264 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
LYN P07948 1/20 0.43
MAPK1 P28482 1/20 0.43
AKT2 P31751 1/20 0.43
FLT4 P35916 1/20 0.43
FLT3 P36888 1/20 0.43
FRK P42685 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
GSK3A P49840 1/20 0.43

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
SCHEMBL7021167 1.00 LCK (0.80) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7592510 0.90 LCK (0.84) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023829 0.90 LCK (0.84) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7591189 0.89 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018359 0.89 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021042 0.88 LCK (0.79) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018301 0.88 LCK (0.79) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7015494 0.88 LCK (0.78) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020879 0.87 LCK (0.90) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7661825 0.87 LCK (0.77) LCKJAK2JAK3MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed