SCHEMBL20275367

SCHEMBL20275367

CCCC[C@H](C)Oc1nc(NC)c2nc(Br)n(C3CCCCO3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.37
TLR7 Q9NYK1 7/20 0.34
ADORA3 P0DMS8 1/20 0.32
FLT3 P36888 1/20 0.31
TLR8 Q9NR97 2/20 0.31

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
SCHEMBL20275559 0.94 YTHDC1 (0.38) YTHDC1TLR7FLT3TLR8
SCHEMBL3265229 0.88 TLR7 (0.41) TLR7ADORA3TLR8
SCHEMBL567026 0.88 TLR7 (0.41) TLR7ADORA3TLR8
SCHEMBL19050043 0.85 YTHDC1 (0.44) YTHDC1TLR7FLT3TLR8
SCHEMBL2197707 0.82 TLR7 (0.44) TLR7ADORA3TLR8
SCHEMBL29697240 0.82 TLR7 (0.44) TLR7ADORA3TLR8
SCHEMBL565796 0.82 TLR7 (0.44) TLR7ADORA3TLR8
SCHEMBL2195829 0.82 TLR7 (0.44) TLR7ADORA3TLR8
SCHEMBL20275530 0.81 YTHDC1 (0.60) YTHDC1ADORA3FLT3
SCHEMBL566039 0.78 ADORA2A (0.41) TLR7ADORA3TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3336089-A1 PURINE DERIVATIVES FOR USE IN THE TREATMENT OF ALLERGIC, INFLAMMATORY AND INFECTIOUS DISEASES GlaxoSmithKline LLC (US) 2018-06-20 EP disclosed