SCHEMBL2846786

SCHEMBL2846786

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

nearest known ligand 0.84

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.84
TLR8 Q9NR97 3/20 0.52

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
SCHEMBL2845778 0.92 TLR7 (1.00) TLR7
SCHEMBL14472037 0.90 TLR7 (0.84) TLR7TLR8
SCHEMBL14472147 0.84 TLR7 (0.85) TLR7TLR8
SCHEMBL14472245 0.84 TLR7 (0.88) TLR7TLR8
SCHEMBL14471995 0.83 TLR7 (0.86) TLR7TLR8
SCHEMBL14472127 0.81 TLR7 (0.70) TLR7
SCHEMBL2843521 0.81 TLR7 (0.85) TLR7TLR8
SCHEMBL2850861 0.81 TLR7 (1.00) TLR7
SCHEMBL2854801 0.80 TLR7 (0.85) TLR7TLR8
SCHEMBL14472181 0.80 TLR7 (0.88) 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 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