SCHEMBL7514593

SCHEMBL7514593

Nc1cc(-c2ccc3c(c2)ncn3-c2ccnc(NCCC3CCCN(C(=O)Nc4ccccc4)C3)n2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.54
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
LOXL2 Q9Y4K0 1/20 0.39

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
SCHEMBL7505858 0.93 LCK (0.55) LCKMKNK1MKNK2
SCHEMBL7502279 0.91 LCK (0.57) LCKMKNK1MKNK2LOXL2
SCHEMBL7506537 0.91 LCK (0.54) LCKMKNK1MKNK2LOXL2
SCHEMBL7513490 0.88 LCK (0.53) LCKMKNK1MKNK2
SCHEMBL7507450 0.88 LCK (0.69) LCKMKNK1MKNK2
SCHEMBL7510219 0.84 LCK (0.77) LCK
SCHEMBL7577238 0.83 LCK (0.66) LCK
SCHEMBL7505773 0.82 LCK (0.63) LCKMKNK1MKNK2
SCHEMBL7514449 0.82 LCK (0.61) LCKMKNK1MKNK2
SCHEMBL7506201 0.82 LCK (0.58) LCKMKNK1MKNK2

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-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