SCHEMBL2849258

SCHEMBL2849258

CCC(CCCCO)Nc1nc(N)nc(C)c1CCCN(Cc1ccc(CC(=O)O)cc1)C(=O)CN(C)C

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.70

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
SCHEMBL2854604 0.92 TLR7 (0.75) TLR7
SCHEMBL4203067 0.90 TLR7 (0.85) TLR7
SCHEMBL2850440 0.83 TLR7 (0.65) TLR7
SCHEMBL12343221 0.83 TLR7 (1.00) TLR7
SCHEMBL2850876 0.81 TLR7 (0.68) TLR7
SCHEMBL2850658 0.80 TLR7 (0.66) TLR7
SCHEMBL2849554 0.80 TLR7 (0.66) TLR7
SCHEMBL14472037 0.80 TLR7 (0.84) TLR7
SCHEMBL2849252 0.75 TLR7 (0.55) TLR7
SCHEMBL2849039 0.75 TLR7 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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