SCHEMBL20219632

SCHEMBL20219632

CCCCNc1nc(N)ncc1CCc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
TLR8 Q9NR97 15/20 0.47
TLR7 Q9NYK1 11/20 0.47
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL20219510 0.86 TLR8 (0.55) L3MBTL1TLR8TLR7
SCHEMBL17035546 0.85 TLR8 (0.62) L3MBTL1TLR8TLR7
SCHEMBL17035548 0.83 TLR7 (0.64) L3MBTL1TLR8TLR7
SCHEMBL23472257 0.83 L3MBTL1 (0.58) L3MBTL1TLR8TLR7
SCHEMBL13195123 0.82 TLR7 (0.54) L3MBTL1TLR8TLR7
SCHEMBL23472309 0.82 L3MBTL1 (0.46) L3MBTL1TLR8TLR7
SCHEMBL23472433 0.82 TLR8 (0.47) L3MBTL1TLR8TLR7
SCHEMBL17035549 0.82 TLR8 (0.57) L3MBTL1TLR8TLR7
SCHEMBL13195740 0.82 L3MBTL1 (0.57) L3MBTL1TLR8TLR7
SCHEMBL6414963 0.81 TLR7 (0.58) L3MBTL1TLR8TLR7

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-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 EP disclosed