SCHEMBL22735781

SCHEMBL22735781

CC(=O)NC(C)C(=O)N1CC(C#N)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.45
▸ JAK1 P23458 19/20 0.45
▸ JAK3 P52333 19/20 0.45
▸ PREP P48147 1/20 0.40
▸ FAP Q12884 1/20 0.40
▸ TYK2 P29597 1/20 0.35

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
SCHEMBL2491119 0.80 CTSK (0.44) JAK2JAK1JAK3
SCHEMBL2378971 0.80 CTSK (0.44) JAK2JAK1JAK3
SCHEMBL14790967 0.78 CHRNB2 (0.52) JAK2JAK1JAK3TYK2
SCHEMBL11380507 0.77 PREP (0.47) PREPFAP
SCHEMBL2455912 0.75 DPP4 (0.47) JAK2JAK1JAK3
SCHEMBL28132789 0.75 DPP4 (0.47) JAK2JAK1JAK3
SCHEMBL9902299 0.74 DPP4 (0.38) JAK2JAK1JAK3TYK2
SCHEMBL19249275 0.74 DPP4 (0.46) JAK2JAK1JAK3PREP
Hydrochloric Acid SCHEMBL14737849 0.74 DPP4 (0.46) JAK2JAK1JAK3
SCHEMBL16665410 0.72 JAK2 (0.34) JAK2JAK1JAK3TYK2

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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