SCHEMBL1925645

SCHEMBL1925645

CC(C)(C)CNc1c(Nc2ccnc(Nc3ccc(-c4ccccc4)cc3)n2)c(=O)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 20/20 1.00
SGK1 O00141 1/20 0.62
PLK4 O00444 1/20 0.62
CHEK1 O14757 1/20 0.62
MAPK13 O15264 1/20 0.62
PDPK1 O15530 1/20 0.62
JAK2 O60674 1/20 0.62
ROCK2 O75116 1/20 0.62
CHEK2 O96017 1/20 0.62
FYN P06241 1/20 0.62
CSF1R P07333 1/20 0.62
MET P08581 1/20 0.62
PIM1 P11309 1/20 0.62
FLT1 P17948 1/20 0.62
FGFR3 P22607 1/20 0.62
MARK3 P27448 1/20 0.62
MAPK1 P28482 1/20 0.62
KDR P35968 1/20 0.62
FLT3 P36888 1/20 0.62
MAPK9 P45984 1/20 0.62

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
SCHEMBL1926533 0.85 PLK1 (1.00) PLK1SGK1PLK4CHEK1MAPK13
SCHEMBL1925910 0.84 PLK1 (1.00) PLK1SGK1PLK4CHEK1MAPK13
SCHEMBL1926222 0.82 PLK1 (1.00) PLK1PLK4CHEK1PDPK1ROCK2
SCHEMBL1926393 0.82 PLK1 (1.00) PLK1PLK4CHEK1PDPK1ROCK2
SCHEMBL1926114 0.82 PLK1 (1.00) PLK1PLK4CHEK1PDPK1ROCK2
SCHEMBL1926534 0.82 PLK1 (1.00) PLK1SGK1PLK4CHEK1MAPK13
SCHEMBL1925672 0.80 PLK1 (1.00) PLK1
SCHEMBL1925791 0.80 PLK1 (1.00) PLK1
SCHEMBL1927901 0.79 PLK1 (1.00) PLK1
SCHEMBL1926528 0.77 PLK1 (1.00) PLK1SGK1PLK4CHEK1MAPK13

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
US-7956185-B2 Cyclobut-3-ene-1,2,-dione inhibitors of polo-like kinases ABBOTT LABORATORIES (US) 2011-06-07 US claimed
US-7956185-B2 Cyclobut-3-ene-1,2,-dione inhibitors of polo-like kinases ABBOTT LABORATORIES (US) 2011-06-07 US disclosed