SCHEMBL5344142

SCHEMBL5344142

CCNC(=O)c1c(-c2ccc(Cl)cc2)c(I)cn2ccnc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.39
PDE4A P27815 2/20 0.39
PDE4D Q08499 2/20 0.39
PDE4C Q08493 1/20 0.39
CNR2 P34972 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
NAMPT P43490 1/20 0.36
TP53 P04637 2/20 0.35
MDM2 Q00987 2/20 0.35
SLC2A1 P11166 1/20 0.35
HDAC1 Q13547 1/20 0.35
AURKA O14965 1/20 0.34

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
SCHEMBL5336574 0.90 TP53 (0.48) PDE4BPDE4DCNR2TP53MDM2
SCHEMBL5341359 0.70 NPC1 (0.51) AURKA
SCHEMBL17468714 0.69 HPGD (0.52) PDE4BPDE4APDE4DPDE4CCNR2
SCHEMBL5335055 0.68 NAMPT (0.46) HDAC6NAMPTHDAC1
SCHEMBL5337097 0.66 SPTLC1 (0.53) CNR2NAMPTTP53MDM2
SCHEMBL5337260 0.65 CNR1 (0.56) CNR2
SCHEMBL5343953 0.65 CNR1 (0.57) CNR2
SCHEMBL5318651 0.64 HDAC1 (0.50) CNR2HDAC6NAMPTTP53MDM2
SCHEMBL5344217 0.64 LMNA (0.51) TP53
SCHEMBL5344138 0.64 TMIGD3 (0.44) PDE4BPDE4APDE4DPDE4CCNR2

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
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO claimed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed