SCHEMBL2850326

SCHEMBL2850326

CCCC(CC)N(O)c1nc(N)nc(C)c1Cc1ccc(CC(=O)OCC2CCN(C)CC2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.65

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
SCHEMBL2842724 0.93 TLR7 (0.66) TLR7
SCHEMBL2847320 0.87 TLR7 (0.55) TLR7
SCHEMBL2850263 0.86 TLR7 (0.69) TLR7
SCHEMBL2847044 0.83 TLR7 (0.70) TLR7
SCHEMBL2850506 0.82 TLR7 (0.51) TLR7
SCHEMBL2844419 0.81 TLR7 (0.65) TLR7
SCHEMBL2869712 0.81 TLR7 (0.92) TLR7
SCHEMBL2869716 0.81 TLR7 (0.92) TLR7
SCHEMBL2850579 0.81 TLR7 (0.55) TLR7
SCHEMBL2844799 0.80 TLR7 (0.55) 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