SCHEMBL22969802

SCHEMBL22969802

C=CC(=O)N1CCN(I)C(CC#N)C1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.36
KRAS P01116 2/20 0.35
OPRK1 P41145 1/20 0.32
TEAD1 P28347 2/20 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
SCHEMBL24542941 1.00 JAK3 (0.36) JAK3KRASOPRK1TEAD1
SCHEMBL23234669 0.83 JAK3 (0.39) JAK3KRASOPRK1
SCHEMBL22970003 0.82 JAK3 (0.40) JAK3KRASOPRK1
SCHEMBL23444403 0.82 JAK3 (0.40) JAK3KRASOPRK1
SCHEMBL24543192 0.81 OPRK1 (0.34) JAK3OPRK1TEAD1
SCHEMBL22969760 0.81 OPRK1 (0.34) JAK3OPRK1TEAD1
SCHEMBL22969807 0.80 JAK3 (0.38) JAK3OPRK1TEAD1
SCHEMBL22969766 0.79 JAK3 (0.33) JAK3TEAD1
SCHEMBL24854393 0.78 KRAS (0.39) JAK3KRASOPRK1TEAD1
SCHEMBL23544837 0.78 JAK3 (0.37) JAK3KRASOPRK1TEAD1

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