SCHEMBL2853379

SCHEMBL2853379

COc1cc(CCl)ccc1Cc1c(C)nc(N)nc1Cl.[O-][S+](Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
TLR7 Q9NYK1 17/20 0.48
TLR8 Q9NR97 3/20 0.44

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
SCHEMBL4197996 0.94 NPSR1 (0.60) NPSR1TLR7TLR8
SCHEMBL2853038 0.84 NPSR1 (0.47) NPSR1TLR7
SCHEMBL2849074 0.84 NPSR1 (0.58) NPSR1TLR7TLR8
SCHEMBL2853207 0.81 NPSR1 (0.55) NPSR1TLR7TLR8
SCHEMBL2847405 0.81 TLR7 (0.72) TLR7
SCHEMBL2850612 0.80 NPSR1 (0.47) NPSR1TLR7
SCHEMBL4198238 0.78 NPSR1 (0.52) NPSR1TLR7
SCHEMBL853999 0.76 NPSR1 (0.51) NPSR1TLR7TLR8
SCHEMBL6120485 0.76 NPSR1 (0.51) NPSR1TLR7TLR8
SCHEMBL30036469 0.76 NPSR1 (0.51) NPSR1TLR7TLR8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222648-B1 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) 2013-01-09 EP disclosed
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