SCHEMBL7591189

SCHEMBL7591189

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 1.00
JAK2 O60674 1/20 0.60
JAK3 P52333 1/20 0.60
MKNK1 Q9BUB5 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ROCK1 Q13464 1/20 0.47
CYP3A4 P08684 1/20 0.42
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42

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
SCHEMBL7018359 1.00 LCK (1.00) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7023829 0.92 LCK (0.84) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7592510 0.92 LCK (0.84) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7589881 0.91 LCK (0.83) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7025711 0.91 LCK (0.83) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7028508 0.89 LCK (0.81) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7589479 0.89 LCK (0.81) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7021167 0.89 LCK (0.80) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7592839 0.89 LCK (0.80) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7017781 0.88 LCK (0.79) LCKJAK2JAK3CYP3A4PLK1

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