SCHEMBL7505052

SCHEMBL7505052

O=[N+]([O-])c1cccc(CCNc2nccc(-n3cnc4cc(-c5ccncc5)ccc43)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 16/20 0.56
MKNK1 Q9BUB5 14/20 0.56
LCK P06239 3/20 0.51

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
SCHEMBL7498354 0.87 MKNK2 (0.54) MKNK2MKNK1LCK
SCHEMBL7509733 0.87 MKNK2 (0.54) MKNK2MKNK1LCK
SCHEMBL7505248 0.87 MKNK2 (0.49) MKNK2MKNK1LCK
SCHEMBL7498441 0.87 LCK (0.53) MKNK2MKNK1LCK
SCHEMBL7504632 0.86 MKNK2 (0.72) MKNK2MKNK1LCK
SCHEMBL7504199 0.84 MKNK2 (0.62) MKNK2MKNK1LCK
SCHEMBL7503814 0.83 MKNK2 (0.58) MKNK2MKNK1LCK
SCHEMBL7504021 0.82 MKNK2 (0.54) MKNK2MKNK1LCK
SCHEMBL7499363 0.81 MKNK1 (0.67) MKNK2MKNK1LCK
SCHEMBL7014729 0.80 LCK (0.77) MKNK2MKNK1LCK

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