SCHEMBL7101240

SCHEMBL7101240

COc1cccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccnc(NC(C)c3ccccc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 12/20 0.60
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52
BRD4 O60885 1/20 0.47
BRPF1 P55201 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
IDH1 O75874 3/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45

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
SCHEMBL7101235 1.00 LCK (0.60) LCKJAK2JAK3BRD4BRPF1
SCHEMBL7018721 0.94 LCK (0.62) LCKJAK2JAK3IDH1MKNK1
SCHEMBL7599669 0.92 LCK (0.62) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7022463 0.92 LCK (0.62) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7014887 0.91 LCK (0.69) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7600966 0.90 LCK (0.71) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7024476 0.90 LCK (0.71) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7025461 0.89 LCK (0.60) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7589949 0.89 LCK (0.60) LCKJAK2JAK3NPC1RAB9A
SCHEMBL7021623 0.89 LCK (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
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