SCHEMBL8371986

SCHEMBL8371986

C[C@@H](Nc1c(Nc2cccnc2)c(=O)c1=O)C(C)(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 18/20 0.70
ROCK1 Q13464 4/20 0.70
CHEK1 O14757 3/20 0.70
ROCK2 O75116 3/20 0.70
CHEK2 O96017 3/20 0.70
GSK3A P49840 3/20 0.70
GSK3B P49841 3/20 0.70
PRKX P51817 3/20 0.70
CSNK1G2 P78368 3/20 0.70
CDC42BPA Q5VT25 3/20 0.70
CLK4 Q9HAZ1 3/20 0.70
CDC7 O00311 2/20 0.70
PLK4 O00444 2/20 0.70
DAPK3 O43293 2/20 0.70
PIM1 P11309 2/20 0.70
PRKCZ Q05513 2/20 0.70
PKN2 Q16513 2/20 0.70
PLK3 Q9H4B4 2/20 0.70
MKNK2 Q9HBH9 2/20 0.70
CSNK1G1 Q9HCP0 2/20 0.70

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
SCHEMBL7345066 1.00 PLK1 (0.70) PLK1ROCK1CHEK1ROCK2CHEK2
SCHEMBL4376047 0.82 PLK1 (1.00) PLK1ROCK1CHEK1ROCK2CHEK2
SCHEMBL4376049 0.82 PLK1 (1.00) PLK1ROCK1CHEK1ROCK2CHEK2
SCHEMBL7349452 0.80 PLK1 (0.55) PLK1ROCK1CHEK1ROCK2CHEK2
SCHEMBL19956891 0.77 KMT2A (0.49) PLK1ROCK1ROCK2CHEK2GSK3A
SCHEMBL6983541 0.77 MAPKAPK2 (0.52) PLK1ROCK1CHEK1ROCK2CHEK2
SCHEMBL6989283 0.76 ABCC9 (0.51) PLK1ROCK1CHEK1ROCK2CHEK2
SCHEMBL7555212 0.76 ABCC9 (0.51) PLK1ROCK1CHEK1ROCK2CHEK2
SCHEMBL6987237 0.76 KMT2A (0.42) PLK1ROCK1CHEK1ROCK2CHEK2
SCHEMBL8669622 0.75 PLK1 (0.61) PLK1ROCK1CHEK1ROCK2CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0796243-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PROD (US) 1999-01-27 EP disclosed
EP-0796243-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-24 EP disclosed
WO-1996015103-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-23 WO disclosed
US-5512585-A MUSCLE RELAXANT AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-30 US disclosed