SCHEMBL21961591

SCHEMBL21961591

CC(C)(C)OC(=O)n1ncc2nc(NCO)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 2/20 0.41
CHEK2 O96017 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KA3 P51812 1/20 0.41
PAK1 Q13153 1/20 0.41
DYRK1A Q13627 1/20 0.41
PRKD2 Q9BZL6 1/20 0.41
EEF2K O00418 1/20 0.41
MAP4K4 O95819 1/20 0.41
CLK2 P49760 1/20 0.41
GSK3B P49841 1/20 0.41
PRKX P51817 1/20 0.41
NEK4 P51957 1/20 0.41
PRKG2 Q13237 1/20 0.41
PKN2 Q16513 1/20 0.41
TAOK1 Q7L7X3 1/20 0.41
AURKB Q96GD4 1/20 0.41
PBK Q96KB5 1/20 0.41
SLK Q9H2G2 1/20 0.41

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
SCHEMBL21101820 0.84 EGFR (0.37) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL21964275 0.83 ROCK2 (0.36) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL21961593 0.79 BIRC2 (0.40)
SCHEMBL23485204 0.79 BIRC2 (0.40)
SCHEMBL29510701 0.79 BIRC2 (0.40)
SCHEMBL31609633 0.79 ELANE (0.41) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL29510641 0.79 ROCK2 (0.39) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL24552717 0.79 ELANE (0.41) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL21964510 0.79 ROCK2 (0.39) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL29640123 0.77 ROCK2 (0.40) ROCK2ROCK1CHEK2PRKACARPS6KA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed