SCHEMBL7362076

SCHEMBL7362076

O=c1c2cccnc2c(-c2cccc(Cl)c2)nn1C1CN(CCO)CCO1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.52
PDE4D Q08499 5/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 3/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MPI P34949 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL7365389 0.87 PDE4A (0.51) PDE4APDE4DPDE4BPDE4CALDH1A1
SCHEMBL7362080 0.80 PDE4A (0.52) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7364894 0.78 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL8308698 0.78 PDE4A (0.57) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL8308651 0.74 PDE4A (0.66) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7360454 0.71 PDE4A (0.67) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7364896 0.70 PDE4A (0.54) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7363892 0.69 PDE4A (0.71) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7363454 0.68 PDE4A (0.74) PDE4APDE4DPDE4BPDE4CPDE3B
SCHEMBL7364218 0.68 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CPDE3B

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-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
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