SCHEMBL31158290

SCHEMBL31158290

N#CCc1c[nH]c(-n2cc(-c3ccnc(N)c3[N+](=O)[O-])cn2)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.32
▸ KDM5A P29375 1/20 0.31
▸ HSP90AA1 P07900 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
SCHEMBL29480720 0.82 EGLN1 (0.37) —
SCHEMBL22736126 0.82 EGLN1 (0.37) —
SCHEMBL22736343 0.76 — —
SCHEMBL29480662 0.71 HTT (0.41) —
SCHEMBL31158291 0.71 TLR7 (0.32) —
SCHEMBL22735911 0.71 GRM4 (0.35) KDM5A
SCHEMBL29480689 0.71 GRM4 (0.35) KDM5A
SCHEMBL22736327 0.69 KCNJ1 (0.38) —
SCHEMBL29480741 0.69 KCNJ1 (0.38) —
SCHEMBL29480744 0.67 LMNA (0.44) —

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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