SCHEMBL7360966

SCHEMBL7360966

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.55
PDE4B Q07343 5/20 0.55
PDE4C Q08493 4/20 0.55
PDE4D Q08499 4/20 0.55
PDE3B Q13370 1/20 0.55
PDE3A Q14432 1/20 0.55
TBXAS1 P24557 1/20 0.50
ADORA1 P30542 3/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADORA2A P29274 3/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.37
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL7364120 0.91 TBXAS1 (0.50) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363454 0.86 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365641 0.85 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9377975 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368065 0.84 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365100 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7359713 0.82 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365437 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8694519 0.81 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363644 0.81 PDE4A (0.61) 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