SCHEMBL29480728

SCHEMBL29480728

Nc1nccc(-c2cnn(-c3ccc(C(NC(=O)NC4CC4)C(F)(F)F)cn3)c2)c1N

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 17/20 0.36
▸ JAK2 O60674 1/20 0.32
▸ GCG P01275 2/20 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
SCHEMBL22736340 1.00 RIPK2 (0.36) RIPK2JAK2GCG
SCHEMBL29480664 0.89 RIPK2 (0.34) RIPK2JAK2GCG
SCHEMBL22716891 0.89 RIPK2 (0.34) RIPK2JAK2GCG
SCHEMBL22736219 0.85 RIPK2 (0.36) RIPK2GCG
SCHEMBL29480743 0.85 RIPK2 (0.36) RIPK2GCG
SCHEMBL22736349 0.85 JAK2 (0.35) RIPK2JAK2GCG
SCHEMBL29480466 0.85 JAK2 (0.35) RIPK2JAK2GCG
SCHEMBL29480711 0.83 RIPK2 (0.35) RIPK2GCG
SCHEMBL22735768 0.76 JAK1 (0.36) JAK2GCG
SCHEMBL29480749 0.76 JAK1 (0.36) JAK2GCG

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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