SCHEMBL24327028

SCHEMBL24327028

CC(C)(C)OC(=O)NC1CCC(n2cnc3cnc4c(c32)CCN4)C1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 14/20 0.65
JAK2 O60674 6/20 0.50
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
RET P07949 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 2/20 0.35
BTK Q06187 2/20 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
SCHEMBL12425915 0.82 JAK1 (0.47) JAK1KMT2AL3MBTL1
SCHEMBL12425899 0.79 JAK1 (0.46) JAK1JAK2TYK2JAK3DRD2
SCHEMBL12385111 0.79 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL12385110 0.79 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL22511963 0.79 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL12385125 0.79 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL2277170 0.79 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL12425794 0.77 JAK1 (0.42) JAK1JAK2TYK2JAK3
SCHEMBL31376648 0.74 JAK1 (0.62) JAK1JAK2TYK2JAK3RET
SCHEMBL12424736 0.74 JAK1 (1.00) JAK1JAK2TYK2JAK3

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-2022068933-A1 COMPOUNDS AND METHODS OF TREATING DISEASES CULLGEN (SHANGHAI) , INC. (CN) 2022-04-07 WO disclosed