SCHEMBL7946067

SCHEMBL7946067

CCCCn1c(=O)c(-c2cccc(C)c2)nc2c(N)ccnc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.57
TP53 P04637 1/20 0.42
TLR8 Q9NR97 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 1/20 0.39
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
HPGD P15428 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL7947917 0.94 PDE4B (0.51) PDE4BTLR8MEN1KMT2AMAPK14
SCHEMBL7947571 0.89 PDE4B (0.47) PDE4BTLR8MAPK14ADORA2AADORA2B
SCHEMBL7945984 0.87 CYP1A2 (0.51) PDE4BMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7945959 0.86 PDE4B (0.51) PDE4BTP53MEN1KMT2AALDH1A1
SCHEMBL7938164 0.83 PDE4B (0.42) PDE4BMAPK14CLK4
SCHEMBL7938416 0.82 CYP1A2 (0.50) PDE4BTLR8MEN1KMT2AALDH1A1
SCHEMBL7946753 0.80 ALDH1A1 (0.52) TP53MEN1KMT2AALDH1A1HSD17B10
SCHEMBL7944647 0.78 MTOR (0.53) PDE4BTLR8PDE4DKMT2AMAPK14
SCHEMBL7944713 0.78 CYP1A2 (0.47) PDE4BMEN1KMT2AALDH1A1HSD17B10
SCHEMBL7944114 0.77 PDE4B (0.48) PDE4BTLR8PDE4APDE4CPDE4D

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
WO-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed