SCHEMBL7363454

SCHEMBL7363454

CCn1nc(-c2cccc(Cl)c2)c2ncccc2c1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.74
PDE4C Q08493 4/20 0.74
PDE4D Q08499 4/20 0.74
PDE4B Q07343 3/20 0.74
PDE3B Q13370 1/20 0.74
PDE3A Q14432 1/20 0.74
TBXAS1 P24557 1/20 0.50
ADORA1 P30542 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADORA2A P29274 2/20 0.41
PARP1 P09874 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7363892 0.91 PDE4A (0.71) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL7360186 0.91 PDE4A (0.61) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL7365957 0.86 PDE4A (0.85) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL7360966 0.86 PDE4A (0.55) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL7364942 0.85 PDE4A (1.00) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL8694738 0.84 PDE4A (0.75) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL7365100 0.84 PDE4A (0.53) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL7364074 0.84 TBXAS1 (0.62) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL7362945 0.82 PDE4A (0.82) PDE4APDE4CPDE4DPDE4BPDE3B
SCHEMBL7359713 0.82 PDE4A (0.75) PDE4APDE4CPDE4DPDE4BPDE3B

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