SCHEMBL7401439

SCHEMBL7401439

CCc1nn(C2=CC=C2)c2c1CCN(c1cccc(C)c1)C2=O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.72
PDE4B Q07343 19/20 0.72
PDE4C Q08493 19/20 0.72
PDE4D Q08499 19/20 0.72
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 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
SCHEMBL7398487 0.81 PDE4A (0.70) PDE4APDE4BPDE4CPDE4D
SCHEMBL7400689 0.78 PDE4A (0.81) PDE4APDE4BPDE4CPDE4D
SCHEMBL7401440 0.78 PDE4A (0.79) PDE4APDE4BPDE4CPDE4D
SCHEMBL7376573 0.75 PDE4A (0.85) PDE4APDE4BPDE4CPDE4D
SCHEMBL7407078 0.71 PDE4A (0.76) PDE4APDE4BPDE4CPDE4D
SCHEMBL7400362 0.69 PDE4A (0.82) PDE4APDE4BPDE4CPDE4D
SCHEMBL21965200 0.67 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL21504328 0.67 PDE4A (0.60) PDE4APDE4BPDE4CPDE4D
SCHEMBL21504047 0.66 F10 (0.62)
SCHEMBL7376577 0.65 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D

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-0707585-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1996-04-24 EP claimed
WO-1995001980-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1995-01-19 WO claimed
EP-0707585-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1996-04-24 EP disclosed
WO-1995001980-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1995-01-19 WO disclosed