SCHEMBL22736219

SCHEMBL22736219

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 13/20 0.36
▸ GCG P01275 6/20 0.35
▸ GCGR P47871 1/20 0.33

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
SCHEMBL29480743 1.00 RIPK2 (0.36) RIPK2GCGGCGR
SCHEMBL29480665 0.90 RIPK2 (0.33) RIPK2GCGGCGR
SCHEMBL29480711 0.89 RIPK2 (0.35) RIPK2GCG
SCHEMBL29480497 0.86 RIPK2 (0.34) RIPK2GCG
SCHEMBL22736254 0.86 RIPK2 (0.34) RIPK2GCG
SCHEMBL22736340 0.85 RIPK2 (0.36) RIPK2GCG
SCHEMBL29480728 0.85 RIPK2 (0.36) RIPK2GCG
SCHEMBL29480676 0.81 GCG (0.32) GCGGCGR
SCHEMBL22716927 0.79 RIPK2 (0.33) RIPK2GCG
SCHEMBL29480738 0.79 RIPK2 (0.33) RIPK2GCG

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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