SCHEMBL31376648

SCHEMBL31376648

CC(C)(C)OC(=O)N[C@H]1CC[C@H](n2cnc3cccc(Br)c32)C1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.62
JAK2 O60674 4/20 0.47
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
DRD2 P14416 3/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
BTK Q06187 1/20 0.38
CCRL2 O00421 1/20 0.38
HSD11B1 P28845 1/20 0.38
RET P07949 2/20 0.38

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
SCHEMBL30808784 0.81 JAK1 (0.54) JAK1JAK2KMT2AL3MBTL1JAK3
SCHEMBL30808804 0.80 JAK1 (0.58) JAK1JAK2KMT2AL3MBTL1TYK2
SCHEMBL25597839 0.80 JAK1 (0.49) JAK1JAK2KMT2AL3MBTL1KDM1A
SCHEMBL31376669 0.80 JAK1 (0.42) JAK1JAK2KMT2AJAK3DRD2
SCHEMBL30808803 0.77 JAK1 (0.54) JAK1JAK2KMT2AL3MBTL1KDM1A
SCHEMBL30808806 0.77 JAK1 (0.54) JAK1JAK2KMT2AL3MBTL1KDM1A
SCHEMBL2277170 0.77 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL12385110 0.77 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL22511963 0.77 JAK1 (1.00) JAK1JAK2TYK2JAK3
SCHEMBL12385125 0.77 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 EP disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed