SCHEMBL7500544

SCHEMBL7500544

O=C(OCc1ccccc1)N1CCCC(CCNc2nccc(-n3cnc4ccccc43)n2)C1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.85
MKNK1 Q9BUB5 8/20 0.51
MKNK2 Q9HBH9 6/20 0.51
GRIN2B Q13224 1/20 0.46

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
SCHEMBL7506710 0.93 LCK (0.74) LCKMKNK1MKNK2GRIN2B
SCHEMBL7504210 0.92 LCK (1.00) LCKMKNK1MKNK2GRIN2B
SCHEMBL7512300 0.89 LCK (0.69) LCKMKNK1MKNK2GRIN2B
SCHEMBL7510065 0.89 LCK (0.68) LCKMKNK1MKNK2
SCHEMBL7506100 0.88 LCK (0.70) LCKMKNK1MKNK2
SCHEMBL7510061 0.88 LCK (0.66) LCKMKNK1MKNK2
SCHEMBL7508722 0.87 LCK (0.91) LCKGRIN2B
SCHEMBL7507450 0.85 LCK (0.69) LCKMKNK1MKNK2
SCHEMBL7506467 0.85 LCK (0.69) LCKMKNK1MKNK2
SCHEMBL7505777 0.84 LCK (0.82) LCKGRIN2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 EP claimed
EP-1206260-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP claimed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO claimed
EP-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 EP disclosed
EP-1206260-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed