SCHEMBL22735954

SCHEMBL22735954

CC(c1ccc(-n2cc(-c3ccnc(N)c3[N+](=O)[O-])cn2)nc1)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 1/20 0.34
▸ GRM4 Q14833 2/20 0.33
▸ MELK Q14680 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
SCHEMBL29480652 1.00 EGLN1 (0.34) EGLN1GRM4MELK
SCHEMBL29567290 0.86 EGLN1 (0.38) EGLN1GRM4MELK
SCHEMBL29480668 0.86 EGLN1 (0.38) EGLN1GRM4
SCHEMBL22736533 0.86 EGLN1 (0.38) EGLN1GRM4
SCHEMBL22735769 0.85 EGLN1 (0.33) EGLN1GRM4
SCHEMBL29480751 0.83 — —
SCHEMBL22735968 0.83 — —
SCHEMBL29480651 0.83 — —
SCHEMBL29480690 0.83 OGA (0.34) EGLN1GRM4
SCHEMBL22735928 0.81 GRM4 (0.33) EGLN1GRM4

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
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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