SCHEMBL29314852

SCHEMBL29314852

CC(c1ccc2ncccc2c1)N(N)c1nc(-c2cnn(CP(C)(C)=O)c2)cnc1N

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.45
PDE3B Q13370 4/20 0.45
PDE3A Q14432 4/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
PDE10A Q9Y233 2/20 0.37
PDE2A O00408 1/20 0.37
CHRM2 P08172 1/20 0.37
PDE4A P27815 1/20 0.37
PDE1A P54750 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE1C Q14123 1/20 0.37
PDE11A Q9HCR9 1/20 0.37
CYP2C9 P11712 1/20 0.36
OPRD1 P41143 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
SCHEMBL29317775 0.83 MET (0.44) METPDE3BPDE3APDE4CPDE4D
SCHEMBL29315788 0.81 MET (0.40) MET
SCHEMBL29314946 0.78 MET (0.45) METPDE3BPDE3APDE4CPDE4D
SCHEMBL29314794 0.77 MET (0.39) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167532 0.77 MET (0.55) METPDE3BPDE3APDE4CPDE4D
SCHEMBL21167744 0.77 MET (0.55) METPDE3BPDE3APDE4CPDE4D
SCHEMBL22109200 0.76 ATR (0.39) METPDE3BPDE3APDE4CPDE4D
SCHEMBL29314890 0.71 MET (0.39) MET
SCHEMBL22109430 0.69 MET (0.45) METPDE3BPDE3APDE4CPDE4D
SCHEMBL14378441 0.68 MET (0.59) METPDE3BPDE3APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3893872-B1 ORGANOPHOSPHORUS-SUBSTITUTED COMPOUNDS AS C-MET INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2024-07-17 EP disclosed