SCHEMBL31158291

SCHEMBL31158291

N#CC1CN(Cc2ccc(-n3cc(-c4ccnc(N)c4[N+](=O)[O-])cn3)nc2)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.31
▸ BTK Q06187 3/20 0.30
▸ GRM4 Q14833 1/20 0.30

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
SCHEMBL29480740 0.87 TLR7 (0.34) TLR7EGLN1BTKGRM4
SCHEMBL22736126 0.84 EGLN1 (0.37) EGLN1GRM4
SCHEMBL29480720 0.84 EGLN1 (0.37) EGLN1GRM4
SCHEMBL22735925 0.82 PIK3CD (0.34) EGLN1
SCHEMBL29480689 0.81 GRM4 (0.35) EGLN1GRM4
SCHEMBL22735911 0.81 GRM4 (0.35) EGLN1GRM4
SCHEMBL22736015 0.77 JAK1 (0.34) TLR7EGLN1GRM4
SCHEMBL29480520 0.77 JAK1 (0.34) TLR7EGLN1GRM4
SCHEMBL22736327 0.76 KCNJ1 (0.38) GRM4
SCHEMBL29480741 0.76 KCNJ1 (0.38) GRM4

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
CN-114174294-B Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2024-10-25 — — CN disclosed
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