SCHEMBL7589671

SCHEMBL7589671

CC(Nc1nccc(-n2cnc3cc(-c4ccncc4)ccc32)n1)C1CCCNC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.62
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 2/20 0.50

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
SCHEMBL7103389 0.84 LCK (0.79) LCKMKNK1MKNK2
SCHEMBL7590572 0.78 LCK (0.52) LCKMKNK1MKNK2
SCHEMBL7987452 0.78 LCK (0.80) LCK
SCHEMBL7503909 0.77 LCK (0.45) LCKMKNK1MKNK2
SCHEMBL7592779 0.77 LCK (1.00) LCKMKNK1MKNK2
SCHEMBL7016875 0.77 LCK (1.00) LCKMKNK1MKNK2
SCHEMBL7586925 0.75 LCK (0.81) LCK
SCHEMBL7569953 0.75 LCK (0.81) LCK
SCHEMBL7019359 0.73 LCK (1.00) LCKMKNK1MKNK2
SCHEMBL7019366 0.73 LCK (1.00) 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 4 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
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US disclosed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed