SCHEMBL7364904

SCHEMBL7364904

COc1ccc(Cn2nc(-c3cccc(Cl)c3)c3ncccc3c2=O)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.71
PDE4B Q07343 4/20 0.71
PDE4C Q08493 4/20 0.71
PDE4D Q08499 4/20 0.71
PDE3B Q13370 1/20 0.71
PDE3A Q14432 1/20 0.71
KDR P35968 1/20 0.44
EPHB4 P54760 1/20 0.44
TEK Q02763 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL7362945 0.84 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365957 0.84 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7364942 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363454 0.80 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7361132 0.80 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363275 0.79 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366870 0.79 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL8694738 0.78 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363892 0.78 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7366158 0.78 PDE4A (0.74) 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 4 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
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US 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