SCHEMBL7977878

SCHEMBL7977878

Cc1ccc2c(C(=O)Nc3cc[n+]([O-])cc3Cl)ccc(OC(F)F)c2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 15/20 0.48
PDE4D Q08499 14/20 0.48
PDE4B Q07343 13/20 0.48
PDE4C Q08493 12/20 0.48
PDE11A Q9HCR9 1/20 0.40
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
LRRK2 Q5S007 1/20 0.35
POLB P06746 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 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
SCHEMBL7982474 0.91 PDE4A (0.43) PDE4APDE4DPDE4BPDE4CPDE11A
SCHEMBL7979774 0.88 PDE4A (0.56) PDE4APDE4DPDE4BPDE4CPDE11A
SCHEMBL7432930 0.82 PDE4A (0.62) PDE4APDE4DPDE4BPDE4CPDE11A
SCHEMBL7976353 0.81 PDE4B (0.52) PDE4APDE4DPDE4BPDE4CPDE11A
SCHEMBL4698112 0.79 PDE4D (0.77) PDE4APDE4DPDE4BPDE4CPDE11A
SCHEMBL7982313 0.79 PDE4B (0.70) PDE4APDE4DPDE4BPDE4CPDE11A
SCHEMBL7421111 0.77 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CPDE11A
SCHEMBL12371963 0.76 PDE4D (0.77) PDE4APDE4DPDE4BPDE4CPDE11A
SCHEMBL7982342 0.76 PDE4D (0.64) PDE4APDE4DPDE4BPDE4CPDE11A
SCHEMBL4701753 0.73 PDE4B (0.43) PDE4APDE4DPDE4BPDE4CMAPT

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