SCHEMBL7365746

SCHEMBL7365746

O=c1c2ncccc2c(-c2ccc3c(c2)OCO3)nn1Cc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.56
PDE4B Q07343 3/20 0.56
PDE4C Q08493 3/20 0.56
PDE4D Q08499 3/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
PDE5A O76074 2/20 0.45
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDR P35968 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL8693757 0.93 PDE5A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7361880 0.92 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364301 0.85 HTT (0.47) PDE4APDE5AHPGDHTTSMN1; SMN2
SCHEMBL7359586 0.85 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364759 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8306609 0.80 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364065 0.80 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365928 0.79 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7361643 0.77 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7359530 0.77 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE3B

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
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed