SCHEMBL7102853

SCHEMBL7102853

CC(Nc1nccc(-n2cnc3ccc(-c4ccc(C#N)cc4)cc32)n1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.69
JAK2 O60674 5/20 0.62
JAK3 P52333 5/20 0.62
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
MAPK14 Q16539 2/20 0.47
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45

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
SCHEMBL7102850 1.00 LCK (0.69) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7024692 0.93 LCK (0.79) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7025767 0.92 LCK (0.74) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7025844 0.88 LCK (0.73) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022331 0.87 LCK (0.74) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022090 0.85 LCK (0.83) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020879 0.83 LCK (0.90) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7020628 0.83 LCK (0.75) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016983 0.83 LCK (0.87) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016740 0.82 LCK (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed