SCHEMBL7016932

SCHEMBL7016932

FC(F)(F)c1cccc(CNc2nccc(-n3cnc4ccccc43)n2)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.72
MKNK1 Q9BUB5 12/20 0.66
MKNK2 Q9HBH9 12/20 0.58
CDK2 P24941 1/20 0.52
APP P05067 1/20 0.49

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
SCHEMBL7023113 0.92 LCK (0.71) LCKMKNK1MKNK2CDK2
SCHEMBL7024653 0.88 LCK (0.66) LCKMKNK1MKNK2CDK2
SCHEMBL7027214 0.86 LCK (0.77) LCKMKNK1MKNK2CDK2
SCHEMBL7018938 0.85 LCK (0.78) LCKMKNK1MKNK2CDK2
SCHEMBL7022617 0.84 LCK (1.00) LCKMKNK1MKNK2
SCHEMBL7022251 0.84 LCK (0.77) LCKMKNK1MKNK2CDK2
SCHEMBL7026685 0.84 LCK (0.77) LCKMKNK1MKNK2CDK2
SCHEMBL7022687 0.84 LCK (0.77) LCKMKNK1MKNK2CDK2
SCHEMBL7019779 0.84 LCK (0.80) LCKMKNK1MKNK2CDK2
SCHEMBL7023722 0.81 LCK (0.76) LCKMKNK1MKNK2CDK2

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