SCHEMBL7588541

SCHEMBL7588541

CC(Nc1nccc(-n2cnc3cc(-c4ccncc4)ccc32)n1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.77
JAK2 O60674 1/20 0.54
JAK3 P52333 1/20 0.54
IDH1 O75874 2/20 0.50
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MAPK14 Q16539 2/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41

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
SCHEMBL7018966 1.00 LCK (0.77) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7026126 0.89 LCK (0.82) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7592779 0.87 LCK (1.00) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7016875 0.87 LCK (1.00) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7590591 0.87 LCK (0.76) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7021456 0.87 LCK (0.76) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7017781 0.87 LCK (0.79) LCKJAK2JAK3IDH1MAPK14
SCHEMBL7019230 0.87 LCK (0.59) LCKJAK2JAK3IDH1MAPK14
SCHEMBL7022351 0.85 LCK (0.58) LCKJAK2JAK3IDH1MAPK14
SCHEMBL7017487 0.85 LCK (0.75) LCKJAK2JAK3IDH1MKNK1

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