SCHEMBL7589949

SCHEMBL7589949

COc1ccc(C(=O)Nc2ccc3c(c2)ncn3-c2ccnc(NC(C)c3ccccc3)n2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.60
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52
MKNK1 Q9BUB5 4/20 0.47
MKNK2 Q9HBH9 4/20 0.47
NPC1 O15118 1/20 0.46
NQO2 P16083 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
IDH1 O75874 1/20 0.45
ADRA2B P18089 1/20 0.45
PRNP P04156 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL7025461 1.00 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7022463 0.90 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7599669 0.90 LCK (0.62) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7019259 0.90 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7592146 0.90 LCK (0.63) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7014887 0.89 LCK (0.69) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7101240 0.89 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7101235 0.89 LCK (0.60) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018638 0.89 LCK (0.65) LCKJAK2JAK3MKNK1MKNK2
SCHEMBL7018721 0.89 LCK (0.62) 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