SCHEMBL7024872

SCHEMBL7024872

COc1ccc(CNc2nccc(-n3cnc4ccccc43)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.77
MKNK1 Q9BUB5 12/20 0.73
MKNK2 Q9HBH9 10/20 0.67
HTT P42858 1/20 0.53
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7021798 0.88 LCK (0.72) LCKMKNK1MKNK2
SCHEMBL7023913 0.87 LCK (0.82) LCKMKNK1MKNK2
SCHEMBL7022617 0.87 LCK (1.00) LCKMKNK1MKNK2
SCHEMBL7020011 0.86 LCK (0.72) LCKMKNK1MKNK2
SCHEMBL7022437 0.85 LCK (0.82) LCKMKNK1MKNK2
SCHEMBL7019862 0.85 LCK (0.82) LCKMKNK1MKNK2
SCHEMBL7020672 0.85 MKNK1 (1.00) LCKMKNK1MKNK2
SCHEMBL7020519 0.82 MKNK1 (0.67) LCKMKNK1MKNK2
SCHEMBL18803629 0.81 MKNK1 (1.00) LCKMKNK1MKNK2
SCHEMBL7022687 0.80 LCK (0.77) 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 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