SCHEMBL5752944

SCHEMBL5752944

COc1ccc(C2=NC(C)(C)CN2CC(C)Cc2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
PLA2G1B P04054 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ABCC1 P33527 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL5756188 0.87 KIF11 (0.45) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL4533965 0.83 KIF11 (0.41) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5758637 0.81 KIF11 (0.41) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5864191 0.77 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL5754110 0.76 MEN1 (0.40) KIF11MEN1KMT2ATDP1ALDH1A1
SCHEMBL4524816 0.74 EGFR (0.43) KIF11MEN1KMT2ATDP1ALDH1A1
SCHEMBL5604490 0.73 KIF11 (0.54) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5759177 0.73 KIF11 (0.54) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5649781 0.73 TDP1 (0.51) KIF11PDE4APDE4BPDE4CPDE4D
SCHEMBL5647619 0.73 TDP1 (0.55) KIF11PDE4APDE4BPDE4CPDE4D

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-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 WO disclosed