SCHEMBL7023913

SCHEMBL7023913

Cc1ccc(CNc2nccc(-n3cnc4ccccc43)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.82
MKNK1 Q9BUB5 12/20 0.78
MKNK2 Q9HBH9 10/20 0.65
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ROCK1 Q13464 1/20 0.52

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
SCHEMBL7022617 0.90 LCK (1.00) LCKMKNK1MKNK2ROCK1
SCHEMBL7022437 0.88 LCK (0.82) LCKMKNK1MKNK2ROCK1
SCHEMBL7019862 0.88 LCK (0.82) LCKMKNK1MKNK2NPC1RAB9A
SCHEMBL7020672 0.88 MKNK1 (1.00) LCKMKNK1MKNK2
SCHEMBL7022687 0.87 LCK (0.77) LCKMKNK1MKNK2
SCHEMBL7024872 0.87 LCK (0.77) LCKMKNK1MKNK2
SCHEMBL7022907 0.83 LCK (0.70) LCKMKNK1MKNK2
SCHEMBL7660299 0.83 LCK (0.73) LCKMKNK1MKNK2
SCHEMBL7020011 0.82 LCK (0.72) LCKMKNK1MKNK2
SCHEMBL7023722 0.82 LCK (0.76) LCKMKNK1MKNK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
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