SCHEMBL5375816

SCHEMBL5375816

CC(C)Cn1cnc2c([AsH2])nc3cccnc3c21.CCS(=O)(=O)O

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.44
PDE4D Q08499 3/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
ADORA2A P29274 1/20 0.44
ADRA1A P35348 1/20 0.44
NUDT1 P36639 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.34
HTR2C P28335 1/20 0.33

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
Water SCHEMBL5343392 0.99 TLR7 (0.43) TLR7PDE4DHTR2AHTR2BLMNA
SCHEMBL5528022 0.92 TLR7 (0.50) TLR7PDE4DHTR2AHTR2BLMNA
Epetirimod SCHEMBL4178900 0.87 TLR7 (0.61) TLR7PDE4DHTR2AHTR2BLMNA
Epetirimod SCHEMBL4178322 0.86 TLR7 (0.60) TLR7PDE4DHTR2AHTR2BLMNA
Epetirimod SCHEMBL4985288 0.82 TLR7 (0.61) TLR7PDE4DHTR2AHTR2BLMNA
Epetirimod SCHEMBL4983116 0.81 TLR7 (0.60) TLR7PDE4DHTR2AHTR2BLMNA
Epetirimod SCHEMBL29454521 0.77 TLR7 (0.70) TLR7PDE4DHTR2AHTR2BLMNA
Epetirimod SCHEMBL29350668 0.77 TLR7 (0.70) TLR7PDE4DHTR2AHTR2BLMNA
Epetirimod SCHEMBL544542 0.77 TLR7 (0.70) TLR7PDE4DHTR2AHTR2BLMNA
SCHEMBL4562038 0.76 TLR7 (0.72) TLR7PDE4DHTR2AHTR2BLMNA

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-1833833-A2 POLYMORPHS OF 1-(2-METHYLPROPYL)-1H-IMIDAZO 4,5-C 1,5 NAPHTHYRIDIN-4-AMINE ETHANESULFONATE Takeda Pharmaceutical Company Limited (JP) 2007-09-19 EP disclosed
WO-2006071862-A2 POLYMORPHS OF 1-(2-METHYLPROPYL)-1H-IMIDAZO[4,5-C][1,5]NAPHTHYRIDIN-4-AMINE ETHANESULFONATE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 WO disclosed