SCHEMBL7589366

SCHEMBL7589366

CC(Nc1nccc(-n2cnc3cc(NCC4CNCCN4)ccc32)n1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.59
JAK2 O60674 1/20 0.51
JAK3 P52333 1/20 0.51
MKNK1 Q9BUB5 4/20 0.43
MKNK2 Q9HBH9 3/20 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
SCHEMBL7019145 1.00 LCK (0.59) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7014750 0.90 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7593440 0.90 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7588177 0.89 LCK (0.59) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021699 0.89 LCK (0.59) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018751 0.89 LCK (0.59) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018881 0.88 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018822 0.87 LCK (0.59) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7594005 0.87 LCK (0.59) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7595265 0.86 LCK (0.58) 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 6 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
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