SCHEMBL23472393

SCHEMBL23472393

CCCC[C@@H](CCOC(=O)C(C)C)Nc1nc(C)ncc1OC

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 15/20 0.40
▸ TLR8 Q9NR97 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KCNH2 Q12809 2/20 0.34
▸ TRPM8 Q7Z2W7 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
SCHEMBL17123641 0.86 P2RX3 (0.41) TLR7TLR8KCNH2TRPM8
SCHEMBL20413303 0.81 TLR7 (0.37) TLR7TLR8KCNH2TRPM8
SCHEMBL18644351 0.79 TLR7 (0.49) TLR7TLR8KCNH2
SCHEMBL18644353 0.79 TLR7 (0.37) TLR7TLR8KCNH2TRPM8
SCHEMBL20219553 0.77 TLR7 (0.44) TLR7TLR8KCNH2
SCHEMBL19274182 0.76 TLR7 (0.43) TLR7TLR8KCNH2
SCHEMBL15469944 0.76 TLR7 (0.43) TLR7TLR8KCNH2
SCHEMBL20386702 0.76 TLR7 (0.46) TLR7TLR8KCNH2
SCHEMBL20219720 0.75 TLR7 (0.46) TLR7TLR8KCNH2
SCHEMBL23472270 0.73 TLR8 (0.41) TLR7TLR8KCNH2

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-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 — — EP disclosed
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