SCHEMBL842632

SCHEMBL842632

CC(C)Cn1c(N(C)C(=O)O)nc2c(N)nc3cccnc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
ADORA2A P29274 1/20 0.42
ADRA1A P35348 1/20 0.42
NUDT1 P36639 1/20 0.42
HTR2B P41595 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42
TLR8 Q9NR97 5/20 0.41
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
PRMT5 O14744 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 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
SCHEMBL5808535 0.87 TLR7 (0.55) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL841480 0.83 ALDH1A1 (0.36) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4056916 0.81 TLR7 (0.42) TLR7LMNAPOLBHRH2ADRA1D
Sotirimod SCHEMBL191424 0.79 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
Sotirimod SCHEMBL29395045 0.79 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4156478 0.79 TLR7 (0.50) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL5130116 0.78 TLR7 (0.48) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL193507 0.78 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL863071 0.77 ALDH1A1 (0.40) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL1490382 0.77 TLR7 (0.47) TLR7LMNAPOLBHRH2ADRA1D

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
US-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed