SCHEMBL2844593

SCHEMBL2844593

CCCC(C)N(O)c1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.57
TLR8 Q9NR97 3/20 0.49

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
SCHEMBL2846641 0.95 TLR7 (0.59) TLR7
SCHEMBL2849423 0.93 TLR7 (0.57) TLR7
SCHEMBL2847746 0.91 TLR7 (0.55) TLR7TLR8
SCHEMBL2847386 0.91 TLR7 (0.57) TLR7TLR8
SCHEMBL2849429 0.90 TLR7 (0.56) TLR7
SCHEMBL2844746 0.89 TLR7 (0.56) TLR7
SCHEMBL2849452 0.87 TLR7 (0.58) TLR7
SCHEMBL2847044 0.87 TLR7 (0.70) TLR7TLR8
SCHEMBL2850724 0.86 TLR7 (0.51) TLR7
SCHEMBL2843470 0.86 TLR7 (0.56) 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 2 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 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