SCHEMBL2845574

SCHEMBL2845574

CCCCCNc1nc(N)nc(C)c1CCCN(Cc1cccc(CC(=O)OC)c1)C(=O)CN1CCCC1C(=O)OCC

nearest known ligand 0.94

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.94

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
SCHEMBL12343180 0.97 TLR7 (1.00) TLR7
SCHEMBL2849435 0.94 TLR7 (0.90) TLR7
SCHEMBL14472190 0.89 TLR7 (0.81) TLR7
SCHEMBL2848112 0.86 TLR7 (1.00) TLR7
SCHEMBL2848201 0.85 TLR7 (1.00) TLR7
SCHEMBL4198249 0.83 TLR7 (0.88) TLR7
SCHEMBL2854110 0.83 TLR7 (1.00) TLR7
SCHEMBL2845580 0.83 TLR7 (0.71) TLR7
SCHEMBL2846070 0.82 TLR7 (1.00) TLR7
SCHEMBL2873190 0.82 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