SCHEMBL29480720

SCHEMBL29480720

N#CCc1ccc(-n2cc(-c3ccnc(N)c3[N+](=O)[O-])cn2)nc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 5/20 0.37
▸ ATR Q13535 2/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GRM5 P41594 1/20 0.31
▸ MAP3K7 O43318 1/20 0.30
▸ TAB1 Q15750 1/20 0.30
▸ MAP4K1 Q92918 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
SCHEMBL22736126 1.00 EGLN1 (0.37) EGLN1ATRGRM4GAAL3MBTL1
SCHEMBL22735911 0.87 GRM4 (0.35) EGLN1GRM4
SCHEMBL29480689 0.87 GRM4 (0.35) EGLN1GRM4
SCHEMBL22736270 0.84 EGLN1 (0.39) EGLN1ATRGRM4GRM5MAP3K7
SCHEMBL29480746 0.84 EGLN1 (0.39) EGLN1ATRGRM4GRM5MAP3K7
SCHEMBL31158291 0.84 TLR7 (0.32) EGLN1GRM4
SCHEMBL29567802 0.83 EGLN1 (0.34) EGLN1GRM4
SCHEMBL31158290 0.82 RIPK2 (0.32) —
SCHEMBL22736327 0.82 KCNJ1 (0.38) GRM4
SCHEMBL29480741 0.82 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 3 patents. 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
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
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