SCHEMBL2849532

SCHEMBL2849532

CCCCCNc1nc(N)nc(C)c1CCCNC(=O)Cc1cccc(CC(=O)O)c1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.83
TLR8 Q9NR97 6/20 0.59

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
SCHEMBL2848503 0.92 TLR7 (0.82) TLR7TLR8
SCHEMBL2849188 0.91 TLR7 (1.00) TLR7
SCHEMBL14472209 0.89 TLR7 (0.83) TLR7TLR8
SCHEMBL14472185 0.87 TLR7 (0.81) TLR7TLR8
SCHEMBL14472149 0.87 TLR7 (0.80) TLR7TLR8
SCHEMBL2848945 0.83 TLR7 (1.00) TLR7
SCHEMBL14472166 0.82 TLR7 (0.63) TLR7TLR8
SCHEMBL14472169 0.82 TLR7 (0.85) TLR7TLR8
SCHEMBL2843521 0.82 TLR7 (0.85) TLR7TLR8
SCHEMBL14472148 0.81 TLR7 (0.82) TLR7TLR8

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 3 patents. 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
EP-2222648-A1 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) 2010-09-01 EP disclosed
WO-2009067081-A1 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) 2009-05-28 WO disclosed