SCHEMBL14472147

SCHEMBL14472147

CCCCCNc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)O)cc1)C(=O)CN1CCCCC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.85
TLR8 Q9NR97 2/20 0.53

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
SCHEMBL14471995 0.92 TLR7 (0.86) TLR7TLR8
SCHEMBL2849174 0.92 TLR7 (1.00) TLR7
SCHEMBL14472181 0.89 TLR7 (0.88) TLR7TLR8
SCHEMBL14472197 0.86 TLR7 (0.86) TLR7
SCHEMBL14472037 0.86 TLR7 (0.84) TLR7TLR8
SCHEMBL2846064 0.86 TLR7 (0.88) TLR7
SCHEMBL14472152 0.85 TLR7 (0.88) TLR7
SCHEMBL2854653 0.85 TLR7 (1.00) TLR7
SCHEMBL2846786 0.84 TLR7 (0.84) TLR7TLR8
SCHEMBL14472189 0.84 TLR7 (0.87) TLR7

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
EP-2222648-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ASTHMA, COPD, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS, ATOPIC DERMATITIS, CANCER, HEPATITIS B, HEPATITIS C, HIV, HPV, BACTERIAL INFECTIONS AND DERMATOSIS ASTRAZENECA AB (SE) 2013-01-09 EP claimed