SCHEMBL22969801

SCHEMBL22969801

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

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.35
TET3 O43151 4/20 0.34
KMT2A Q03164 4/20 0.34
FBXL19 Q6PCT2 4/20 0.34
CXXC5 Q7LFL8 4/20 0.34
KDM2B Q8NHM5 4/20 0.34
CXXC4 Q9H2H0 4/20 0.34
KDM2A Q9Y2K7 4/20 0.34
TET1 Q8NFU7 3/20 0.34
RYR2 Q92736 1/20 0.31

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
SCHEMBL21741286 0.79 JAK3 (0.36) JAK3TET3KMT2AFBXL19CXXC5
SCHEMBL22967502 0.75 JAK3 (0.34) JAK3TET3KMT2AFBXL19CXXC5
SCHEMBL20314920 0.75 JAK3 (0.38) JAK3TET3KMT2AFBXL19CXXC5
SCHEMBL24244455 0.75 KMT2A (0.44) JAK3TET3KMT2AFBXL19CXXC5
SCHEMBL25228712 0.72 JAK3 (0.43) JAK3TET3KMT2AFBXL19CXXC5
SCHEMBL24829662 0.71 TET3 (0.36) JAK3TET3KMT2AFBXL19CXXC5
SCHEMBL23158190 0.70 TET3 (0.37) JAK3TET3KMT2AFBXL19CXXC5
SCHEMBL20547259 0.70 TET3 (0.47) JAK3TET3KMT2AFBXL19CXXC5
SCHEMBL237862 0.70
SCHEMBL167151 0.70 TET3 (0.47) JAK3TET3KMT2AFBXL19CXXC5

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