SCHEMBL29480670

SCHEMBL29480670

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.34
▸ HDAC4 P56524 1/20 0.32

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
SCHEMBL22735754 1.00 GRM4 (0.34) GRM4HDAC4
SCHEMBL29480667 0.85 GRM4 (0.38) GRM4HDAC4
SCHEMBL22735763 0.85 GRM4 (0.38) GRM4HDAC4
SCHEMBL22735757 0.84 HDAC4 (0.33) GRM4HDAC4
SCHEMBL29480733 0.84 HDAC4 (0.33) GRM4HDAC4
SCHEMBL29480700 0.82 MELK (0.31) HDAC4
SCHEMBL22736147 0.81 CYP3A4 (0.31) HDAC4
SCHEMBL29480757 0.81 CYP3A4 (0.31) HDAC4
SCHEMBL29480690 0.81 OGA (0.34) GRM4
SCHEMBL22735928 0.80 GRM4 (0.33) 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 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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