SCHEMBL29480752

SCHEMBL29480752

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

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 4/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL22735928 1.00 GRM4 (0.33) GRM4KCNH2EGLN1
SCHEMBL29480690 0.87 OGA (0.34) GRM4EGLN1
SCHEMBL29480680 0.87 GRM4 (0.31) GRM4
SCHEMBL29480747 0.86 GRM4 (0.37) GRM4KCNH2EGLN1
SCHEMBL22735946 0.82 GRM4 (0.31) GRM4
SCHEMBL29480669 0.82 GRM4 (0.31) GRM4
SCHEMBL29480659 0.82 GRM4 (0.31) GRM4
SCHEMBL22735968 0.82 — —
SCHEMBL29480751 0.82 — —
SCHEMBL22735954 0.81 EGLN1 (0.34) GRM4EGLN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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