SCHEMBL7018087

SCHEMBL7018087

CC(S)(CS)Cn1c(=O)[nH]c2nccnc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.38
ADRA1B P35368 1/20 0.36
PDE4A P27815 3/20 0.34
ADORA2A P29274 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2B P29275 2/20 0.33
APAF1 O14727 1/20 0.32
CASP6 P55212 1/20 0.32
CDC7 O00311 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
PDPK1 O15530 1/20 0.30
JAK2 O60674 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30

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
SCHEMBL7018089 1.00 KDM4E (0.43) KDM4ELMNAADRA1BPDE4AADORA2A
SCHEMBL7017938 0.87 KDM4E (0.41) KDM4ELMNAADRA1BPDE4AADORA2A
SCHEMBL7017940 0.87 KDM4E (0.41) KDM4ELMNAADRA1BPDE4AADORA2A
SCHEMBL7015733 0.81 FEN1 (0.50) KDM4EADRA1B
SCHEMBL7014576 0.81 ADORA3 (0.41) KDM4EADRA1BADORA2AADORA3
SCHEMBL7022190 0.81 ADORA3 (0.41) KDM4EADRA1BADORA2AADORA3
SCHEMBL7015737 0.81 FEN1 (0.50) KDM4EADRA1B
SCHEMBL7017351 0.78 USP2 (0.35) KDM4E
SCHEMBL7017348 0.78 USP2 (0.35) KDM4E
SCHEMBL7019576 0.75 PDE4A (0.31) PDE4AADORA2APDE4BPDE4CPDE4D

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-1357114-A1 Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-10-29 EP claimed
WO-2003089416-A1 SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH (DE) 2003-10-30 WO disclosed
EP-1357114-A1 Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-10-29 EP disclosed