SCHEMBL2845566

SCHEMBL2845566

CC[C@@H](CCCO)Nc1nc(N)nc(C)c1Cc1cc(CC#N)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.59
TLR8 Q9NR97 4/20 0.48

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
SCHEMBL2850988 0.93 TLR7 (0.62) TLR7TLR8
SCHEMBL4208172 0.89 TLR7 (0.74) TLR7TLR8
SCHEMBL4208166 0.89 TLR7 (0.74) TLR7TLR8
SCHEMBL2848962 0.87 TLR7 (0.67) TLR7
SCHEMBL2850581 0.85 TLR7 (0.71) TLR7
SCHEMBL4203333 0.84 TLR7 (0.75) TLR7TLR8
SCHEMBL4203329 0.84 TLR7 (0.75) TLR7TLR8
SCHEMBL4212483 0.82 TLR7 (0.74) TLR7TLR8
SCHEMBL4212489 0.82 TLR7 (0.74) TLR7TLR8
SCHEMBL2851011 0.80 TLR7 (0.70) 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 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