SCHEMBL7574703

SCHEMBL7574703

CCCCCC(S)c1nccc(-n2cnc3ccccc32)n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.50
MKNK2 Q9HBH9 11/20 0.47
LCK P06239 5/20 0.47
MKNK1 Q9BUB5 12/20 0.46
POLB P06746 1/20 0.43

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
SCHEMBL7024505 0.74 ROCK1 (0.51) ROCK1MKNK2LCKMKNK1POLB
SCHEMBL21554382 0.70 ROCK1 (0.68) ROCK1MKNK2LCKMKNK1POLB
SCHEMBL6039615 0.68 ROCK1 (0.68) ROCK1MKNK2LCKMKNK1POLB
SCHEMBL12821560 0.68 ROCK1 (1.00) ROCK1MKNK2LCKMKNK1POLB
SCHEMBL7024738 0.67 ROCK1 (0.62) ROCK1MKNK2LCKMKNK1POLB
SCHEMBL8177049 0.67 APAF1 (0.49) POLB
SCHEMBL7025485 0.67 LCK (0.75) MKNK2LCKMKNK1
SCHEMBL7576903 0.67 LCK (0.75) MKNK2LCKMKNK1
SCHEMBL2147667 0.66 POLB (0.70) ROCK1MKNK2LCKMKNK1POLB
SCHEMBL31722849 0.66 POLB (0.70) ROCK1MKNK2LCKMKNK1POLB

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