SCHEMBL2850299

SCHEMBL2850299

COc1cc(CC(=O)O)ccc1Cc1c(C)nc(N)nc1N[C@@H](C)CCCO

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.65
TLR8 Q9NR97 4/20 0.59

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
SCHEMBL2847749 1.00 TLR7 (0.65) TLR7TLR8
SCHEMBL2850753 0.97 TLR7 (0.64) TLR7TLR8
SCHEMBL2843476 0.97 TLR7 (0.64) TLR7TLR8
SCHEMBL2854776 0.93 TLR7 (0.67) TLR7TLR8
SCHEMBL2844596 0.91 TLR7 (0.69) TLR7TLR8
SCHEMBL2853099 0.90 TLR7 (0.72) TLR7TLR8
SCHEMBL2850551 0.88 TLR7 (0.61) TLR7
SCHEMBL2849244 0.88 TLR7 (0.61) TLR7
SCHEMBL2846642 0.88 TLR7 (0.68) TLR7TLR8
SCHEMBL2850429 0.88 TLR7 (0.62) 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