SCHEMBL7963003

SCHEMBL7963003

O=C(Nc1c(Cl)cncc1Cl)c1cn([C@H]2CCOC2)c2ncccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.59
KCNH2 Q12809 3/20 0.59
PDE4B Q07343 4/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
TYK2 P29597 9/20 0.42
IL1B P01584 1/20 0.39
P2RX7 Q99572 1/20 0.39
HTR3A P46098 1/20 0.38

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
SCHEMBL7962977 1.00 PDE4A (0.59) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7960506 0.90 PDE4A (0.66) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7961898 0.88 PDE4A (0.64) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7963725 0.88 PDE4A (0.64) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7960386 0.87 PDE4A (0.63) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7954732 0.86 PDE4A (0.62) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7960372 0.86 PDE4A (0.62) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7951793 0.86 PDE4A (0.62) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7963094 0.86 PDE4A (0.62) PDE4AKCNH2PDE4BPDE4CPDE4D
SCHEMBL7951778 0.85 PDE4A (0.61) PDE4AKCNH2PDE4BPDE4CPDE4D

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
US-6331548-B1 PREVENTION OR TREATMENT OF CYTOKINE RELATED DISEASES SUNTORY LIMITED (JP) 2001-12-18 US disclosed
EP-0978516-A1 1-CYCLOALKYL-1,8-NAPHTHYRIDIN-4-ONE DERIVATIVES WITH PHOSPHODIESTERASE IV INHIBITORY ACTIVITY SUNTORY LIMITED (JP) 2000-02-09 EP disclosed