SCHEMBL22969807

SCHEMBL22969807

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.38
OPRK1 P41145 1/20 0.34
TEAD1 P28347 3/20 0.32
TET3 O43151 1/20 0.32
KMT2A Q03164 1/20 0.32
FBXL19 Q6PCT2 1/20 0.32
CXXC5 Q7LFL8 1/20 0.32
TET1 Q8NFU7 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
CXXC4 Q9H2H0 1/20 0.32
KDM2A Q9Y2K7 1/20 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
SCHEMBL22969760 0.85 OPRK1 (0.34) JAK3OPRK1TEAD1
SCHEMBL24543192 0.85 OPRK1 (0.34) JAK3OPRK1TEAD1
SCHEMBL23444394 0.81 JAK3 (0.40) JAK3OPRK1
SCHEMBL23446088 0.81 JAK3 (0.40) JAK3OPRK1
SCHEMBL20326297 0.81 JAK3 (0.38) JAK3OPRK1TEAD1TET3KMT2A
SCHEMBL25840889 0.80 JAK3 (0.41) JAK3
SCHEMBL24542941 0.80 JAK3 (0.36) JAK3OPRK1TEAD1
SCHEMBL22969802 0.80 JAK3 (0.36) JAK3OPRK1TEAD1
SCHEMBL20314873 0.78 JAK3 (0.41) JAK3OPRK1TEAD1
SCHEMBL23544836 0.78 JAK3 (0.41) JAK3OPRK1TEAD1

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