SCHEMBL5528022

SCHEMBL5528022

CC(C)Cn1cnc2c([AsH2])nc3cccnc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.50
HTR2A P28223 4/20 0.50
HTR2B P41595 4/20 0.50
PDE4D Q08499 2/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 1/20 0.50
HRH2 P25021 1/20 0.50
ADRA1D P25100 1/20 0.50
ADORA2A P29274 1/20 0.50
ADRA1A P35348 1/20 0.50
NUDT1 P36639 1/20 0.50
KCNH2 Q12809 1/20 0.50
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
HTR2C P28335 3/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 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
SCHEMBL5375816 0.92 TLR7 (0.44) TLR7HTR2AHTR2BPDE4DPOLB
Water SCHEMBL5343392 0.91 TLR7 (0.43) TLR7HTR2AHTR2BPDE4DPOLB
Epetirimod SCHEMBL29454521 0.84 TLR7 (0.70) TLR7HTR2AHTR2BPDE4DPOLB
Epetirimod SCHEMBL544542 0.84 TLR7 (0.70) TLR7HTR2AHTR2BPDE4DPOLB
Epetirimod SCHEMBL29350668 0.84 TLR7 (0.70) TLR7HTR2AHTR2BPDE4DPOLB
SCHEMBL4562038 0.83 TLR7 (0.72) TLR7HTR2AHTR2BPDE4DPOLB
SCHEMBL4085639 0.82 TLR7 (0.48) TLR7HTR2AHTR2BPDE4DPOLB
Epetirimod SCHEMBL4985288 0.77 TLR7 (0.61) TLR7HTR2AHTR2BPDE4DPOLB
Epetirimod SCHEMBL4178900 0.77 TLR7 (0.61) TLR7HTR2AHTR2BPDE4DPOLB
SCHEMBL3350693 0.77 TLR7 (0.47) TLR7HTR2AHTR2BPDE4DPOLB

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
EP-1845980-A2 AQUEOUS GEL FORMULATIONS CONTAINING 1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C][1,5]NAPHTHYRIDIN-4-AMINE Takeda Pharmaceutical Company Limited (JP) 2007-10-24 EP claimed
WO-2006084073-A2 AQUEOUS GEL FORMULATIONS CONTAINING 1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C][1,5]NAPHTHYRIDIN-4-AMINE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-10 WO claimed