SCHEMBL24615426

SCHEMBL24615426

O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccnc(C(F)(F)F)c4)cc13)C2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.42
JAK2 O60674 6/20 0.42
JAK1 P23458 6/20 0.42
JAK3 P52333 2/20 0.39
GRIN2B Q13224 3/20 0.38
PDE4B Q07343 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GPR65 Q8IYL9 1/20 0.35
GRIN1 Q05586 1/20 0.34
KIT P10721 1/20 0.33
CYP17A1 P05093 2/20 0.33
NR3C2 P08235 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL24615410 0.88 TYK2 (0.45) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615414 0.87 JAK1 (0.42) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615408 0.86 TYK2 (0.42) TYK2JAK2JAK1JAK3KIT
SCHEMBL29772862 0.85 JAK1 (0.44) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615407 0.85 TYK2 (0.46) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615583 0.85 JAK1 (0.44) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615295 0.84 JAK2 (0.40) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615433 0.83 JAK2 (0.49) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615298 0.81 JAK2 (0.40) TYK2JAK2JAK1JAK3KIT
SCHEMBL24615235 0.80 TYK2 (0.44) TYK2JAK2JAK1JAK3

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-2022150446-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2022-07-14 WO disclosed