SCHEMBL7486394

SCHEMBL7486394

CCCCc1n[c]c2c[nH]nc2n1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
GSK3B P49841 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL7490703 0.95 PI4KA (0.32)
SCHEMBL7488220 0.94 ALDH1A1 (0.34)
SCHEMBL7493272 0.90
SCHEMBL7492334 0.72 XDH (0.36) HRH3
SCHEMBL7487251 0.71
SCHEMBL7488939 0.70 ADORA3 (0.38) HRH3
SCHEMBL7545123 0.68 XDH (0.36)
SCHEMBL7542834 0.67 XDH (0.38)
SCHEMBL5809787 0.67 CCNE2 (0.34) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7490134 0.66 PAK1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 EP disclosed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 US disclosed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 EP disclosed