SCHEMBL22969766

SCHEMBL22969766

C=CC(=O)N1CCN(I)[C@@H](C#N)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.33
TEAD1 P28347 3/20 0.33
DPP4 P27487 3/20 0.33
EGFR P00533 1/20 0.30
JAK2 O60674 1/20 0.30
TET3 O43151 1/20 0.30
KMT2A Q03164 1/20 0.30
FBXL19 Q6PCT2 1/20 0.30
CXXC5 Q7LFL8 1/20 0.30
TET1 Q8NFU7 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
CXXC4 Q9H2H0 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL20326344 0.82 JAK3 (0.33) JAK3TEAD1DPP4
SCHEMBL22969802 0.79 JAK3 (0.36) JAK3TEAD1
SCHEMBL24542941 0.79 JAK3 (0.36) JAK3TEAD1
SCHEMBL22970055 0.76 JAK3 (0.34) JAK3JAK2
SCHEMBL21186658 0.76 JAK3 (0.34) JAK3JAK2
SCHEMBL23664821 0.76 JAK3 (0.34) JAK3JAK2
SCHEMBL20334389 0.75 DPP4 (0.36) JAK3TEAD1DPP4
SCHEMBL24543192 0.74 OPRK1 (0.34) JAK3TEAD1
SCHEMBL22969760 0.74 OPRK1 (0.34) JAK3TEAD1
SCHEMBL28110995 0.72 JAK3 (0.41) JAK3DPP4EGFR

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-2021023247-A1 KRAS MUTANT PROTEIN INHIBITOR JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 WO disclosed