SCHEMBL29480738

SCHEMBL29480738

Nc1nccc(-c2cnn(-c3ccc(C(CCC(=O)NC4CC4)C(F)(F)F)cn3)c2)c1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 10/20 0.33
▸ GCG P01275 5/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ BTK Q06187 3/20 0.30
▸ GRIN2B Q13224 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
SCHEMBL22716927 1.00 RIPK2 (0.33) RIPK2GCGL3MBTL1BTKGRIN2B
SCHEMBL29480665 0.90 RIPK2 (0.33) RIPK2GCG
SCHEMBL29480711 0.90 RIPK2 (0.35) RIPK2GCGBTKGRIN2B
SCHEMBL29480659 0.85 GRM4 (0.31) —
SCHEMBL22735946 0.85 GRM4 (0.31) —
SCHEMBL22716891 0.84 RIPK2 (0.34) RIPK2GCG
SCHEMBL29480664 0.84 RIPK2 (0.34) RIPK2GCG
SCHEMBL29480669 0.84 GRM4 (0.31) —
SCHEMBL22735968 0.82 — —
SCHEMBL29480751 0.82 — —

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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