SCHEMBL7547366

SCHEMBL7547366

CC(Nc1nccc(-n2cnc3cc(NC(=O)c4ccc(Cl)cc4)ccc32)n1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.64
JAK2 O60674 1/20 0.55
JAK3 P52333 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MKNK1 Q9BUB5 3/20 0.51
MKNK2 Q9HBH9 3/20 0.51
MAPK14 Q16539 1/20 0.50
IDH1 O75874 1/20 0.49

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
SCHEMBL7020303 1.00 LCK (0.64) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7014887 0.94 LCK (0.69) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7022474 0.92 LCK (0.73) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7593900 0.92 LCK (0.73) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7023569 0.92 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022787 0.91 LCK (0.70) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7021493 0.90 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022463 0.90 LCK (0.62) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7599669 0.90 LCK (0.62) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7586853 0.89 LCK (0.67) 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