SCHEMBL7570040

SCHEMBL7570040

O=C(NCc1ccco1)c1cccc(CCNc2nccc(-n3cnc4ccccc43)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 15/20 0.56
MKNK1 Q9BUB5 14/20 0.56
LCK P06239 1/20 0.53
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL7501589 0.87 MKNK2 (0.61) MKNK2MKNK1LCK
SCHEMBL7505494 0.84 MKNK2 (0.67) MKNK2MKNK1LCK
SCHEMBL7022483 0.82 LCK (0.59) MKNK2MKNK1LCKHPGDALDH1A1
SCHEMBL7507104 0.81 MKNK2 (0.58) MKNK2MKNK1LCK
SCHEMBL7019300 0.80 LCK (0.70) MKNK2MKNK1LCKALDH1A1MAPK1
SCHEMBL7585824 0.79 MKNK2 (0.57) MKNK2MKNK1LCK
SCHEMBL7568342 0.79 MKNK2 (0.56) MKNK2MKNK1LCK
SCHEMBL7571416 0.78 MKNK2 (0.58) MKNK2MKNK1LCK
SCHEMBL7025681 0.77 MKNK1 (0.87) MKNK2MKNK1LCK
SCHEMBL7505860 0.76 MKNK1 (0.72) MKNK2MKNK1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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