SCHEMBL2853038

SCHEMBL2853038

Cc1nc(N)nc(Cl)c1Cc1ccc(CCl)cc1F.[O-][S+](Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
TLR7 Q9NYK1 11/20 0.44
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRAP1 Q12931 4/20 0.35
HSP90B1 P14625 3/20 0.35
HSP90AA1 P07900 3/20 0.35
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL4198238 0.94 NPSR1 (0.52) NPSR1TLR7ALDH1A1POLBTSHR
SCHEMBL2853379 0.84 NPSR1 (0.54) NPSR1TLR7
SCHEMBL2850669 0.83 NPSR1 (0.51) NPSR1TLR7ALDH1A1POLBTSHR
SCHEMBL2844800 0.81 NPSR1 (0.48) NPSR1TLR7ALDH1A1POLBTSHR
SCHEMBL2852348 0.80 TLR7 (0.69) TLR7
SCHEMBL4197996 0.78 NPSR1 (0.60) NPSR1TLR7
SCHEMBL27846923 0.76 NPSR1 (0.64) NPSR1TLR7ALDH1A1POLBTSHR
SCHEMBL2852426 0.74 NPSR1 (0.48) NPSR1TLR7ALDH1A1HPGD
SCHEMBL27828128 0.74 NPSR1 (0.51) NPSR1TLR7ALDH1A1POLBTSHR
SCHEMBL4199306 0.73 TLR7 (0.75) 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 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