SCHEMBL20219556

SCHEMBL20219556

CCCCNc1nc(C)ncc1OCc1cn2ccccc2n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 2/20 0.51
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PDE10A Q9Y233 3/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37

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
SCHEMBL13195702 0.89 TLR7 (0.60) TLR7NPC1RAB9AKDM4ELMNA
SCHEMBL20219555 0.89 TLR7 (0.50) TLR7NPC1RAB9AKDM4ELMNA
SCHEMBL23472289 0.89 TLR7 (0.50) TLR7NPC1RAB9AKDM4ELMNA
SCHEMBL20219439 0.86 TLR7 (0.48) TLR7NPC1RAB9AKDM4ELMNA
SCHEMBL20219438 0.86 TLR7 (0.51) TLR7NPC1RAB9AKDM4ELMNA
SCHEMBL23472299 0.84 NPC1 (0.44) TLR7NPC1RAB9AKDM4ELMNA
SCHEMBL20219490 0.82 TLR7 (0.52) TLR7NPC1RAB9AKDM4EMAPT
SCHEMBL20413285 0.82 KDM4E (0.41) TLR7NPC1RAB9AKDM4ELMNA
SCHEMBL20413281 0.81 NPC1 (0.40) TLR7NPC1RAB9AKDM4ELMNA
SCHEMBL20413287 0.80 KDM4E (0.42) TLR7NPC1RAB9AKDM4ELMNA

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
EP-3330257-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS Janssen Sciences Ireland UC (IE) 2018-06-06 — — EP disclosed
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