SCHEMBL7018938

SCHEMBL7018938

Ic1cccc(CNc2nccc(-n3cnc4ccccc43)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.78
MKNK1 Q9BUB5 14/20 0.71
MKNK2 Q9HBH9 13/20 0.63
CDK2 P24941 1/20 0.55

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 0.88 LCK (1.00) LCKMKNK1MKNK2
SCHEMBL7026685 0.88 LCK (0.77) LCKMKNK1MKNK2CDK2
SCHEMBL7022251 0.88 LCK (0.77) LCKMKNK1MKNK2CDK2
SCHEMBL7022687 0.88 LCK (0.77) LCKMKNK1MKNK2CDK2
SCHEMBL7019779 0.88 LCK (0.80) LCKMKNK1MKNK2CDK2
SCHEMBL7027214 0.88 LCK (0.77) LCKMKNK1MKNK2CDK2
SCHEMBL7016932 0.85 LCK (0.72) LCKMKNK1MKNK2CDK2
SCHEMBL7021798 0.85 LCK (0.72) LCKMKNK1MKNK2CDK2
SCHEMBL7020672 0.83 MKNK1 (1.00) LCKMKNK1MKNK2
SCHEMBL7660299 0.83 LCK (0.73) 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 2 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