SCHEMBL2852569

SCHEMBL2852569

CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)O)c1)C(=O)CCCN(C)C

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.85
TLR8 Q9NR97 1/20 0.55

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
SCHEMBL2854801 0.96 TLR7 (0.85) TLR7TLR8
SCHEMBL2843521 0.93 TLR7 (0.85) TLR7TLR8
SCHEMBL2842738 0.92 TLR7 (1.00) TLR7
SCHEMBL2844649 0.88 TLR7 (1.00) TLR7
SCHEMBL14472229 0.88 TLR7 (0.87) TLR7
SCHEMBL14471983 0.88 TLR7 (0.86) TLR7
SCHEMBL14472067 0.87 TLR7 (0.92) TLR7
SCHEMBL2854110 0.85 TLR7 (1.00) TLR7
SCHEMBL2846070 0.85 TLR7 (1.00) TLR7
SCHEMBL14472197 0.85 TLR7 (0.86) 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 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 claimed
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 claimed