SCHEMBL7587969

SCHEMBL7587969

CC(Nc1nccc(-n2cnc3cc(C(F)(F)F)ccc32)n1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.74
JAK2 O60674 1/20 0.64
JAK3 P52333 1/20 0.64
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
MAPK14 Q16539 2/20 0.48
IDH1 O75874 3/20 0.47
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46

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
SCHEMBL7020598 1.00 LCK (0.74) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7026126 0.92 LCK (0.82) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7017709 0.92 LCK (0.74) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7599991 0.90 LCK (0.75) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7017487 0.90 LCK (0.75) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7016983 0.86 LCK (0.87) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021456 0.86 LCK (0.76) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7590591 0.86 LCK (0.76) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7015965 0.85 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023052 0.85 LCK (0.80) 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