SCHEMBL2847046

SCHEMBL2847046

COc1cc(CC(=O)OCC2CCN(C)CC2)ccc1Cc1c(C)nc(N)nc1NC(C)CCCO

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.78
TLR8 Q9NR97 2/20 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
SCHEMBL2847045 1.00 TLR7 (0.78) TLR7TLR8
SCHEMBL2850266 0.92 TLR7 (0.77) TLR7
SCHEMBL2850268 0.92 TLR7 (0.77) TLR7
SCHEMBL2847924 0.91 TLR7 (0.65) TLR7TLR8
SCHEMBL2847923 0.91 TLR7 (0.65) TLR7TLR8
SCHEMBL4206282 0.88 TLR7 (1.00) TLR7TLR8
SCHEMBL4206284 0.88 TLR7 (1.00) TLR7TLR8
SCHEMBL2844596 0.87 TLR7 (0.69) TLR7TLR8
SCHEMBL2846642 0.84 TLR7 (0.68) TLR7TLR8
SCHEMBL2844603 0.84 TLR7 (1.00) 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