SCHEMBL7979774

SCHEMBL7979774

O=C(Nc1cc[n+]([O-])cc1Cl)c1ccc(OC(F)F)c2nc(C(F)(F)F)ccc12

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 0.56
PDE4B Q07343 16/20 0.56
PDE4C Q08493 16/20 0.56
PDE4D Q08499 16/20 0.56
PDE11A Q9HCR9 1/20 0.52
LMNA P02545 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL7976353 0.89 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7982313 0.89 PDE4B (0.70) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7977878 0.88 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7982342 0.88 PDE4D (0.64) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7982355 0.81 PDE4B (0.61) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7982474 0.79 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7979649 0.79 PDE4B (0.65) PDE4APDE4BPDE4CPDE4DPDE11A
Sch-351591 SCHEMBL157018 0.77 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE11A
Sch-351591 SCHEMBL29378661 0.77 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DPDE11A
SCHEMBL7257920 0.74 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DPDE11A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262070-B1 E.G., 8-METHOXY-2-TRIFLUOROMETHYLQUINOLINE-5-CARBOXYLIC ACID(3,5-DICHLORO-1-OXYPYRIDIN-4-YL)AMIDE; TREATMENT OF CHRONIC OBSTRUCTIVE AIRWAYS DISEASE DARWIN DISCOVERY LTD. (GB) 2001-07-17 US claimed