SCHEMBL24615599

SCHEMBL24615599

O=C([C@@H]1C[C@H]1F)N1C2CCC1CN(c1ccnn3cc(-c4ccc(OC(F)F)nc4)cc13)C2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.39
JAK2 O60674 7/20 0.39
TYK2 P29597 7/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
JAK3 P52333 5/20 0.36
RET P07949 5/20 0.36
KCNH2 Q12809 1/20 0.36
GSK3B P49841 3/20 0.34
DYRK1A Q13627 3/20 0.34
KIT P10721 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL24615598 0.90 JAK1 (0.42) JAK1JAK2TYK2JAK3RET
SCHEMBL24615408 0.84 TYK2 (0.42) JAK1JAK2TYK2JAK3KCNH2
SCHEMBL24615298 0.82 JAK2 (0.40) JAK1JAK2TYK2JAK3RET
SCHEMBL29772862 0.82 JAK1 (0.44) JAK1JAK2TYK2JAK3RET
SCHEMBL24615583 0.82 JAK1 (0.44) JAK1JAK2TYK2JAK3RET
SCHEMBL24615602 0.82 JAK2 (0.38) JAK1JAK2TYK2JAK3
SCHEMBL24615424 0.81 TYK2 (0.41) JAK1JAK2TYK2JAK3RET
SCHEMBL24615433 0.81 JAK2 (0.49) JAK1JAK2TYK2JAK3RET
SCHEMBL24615410 0.80 TYK2 (0.45) JAK1JAK2TYK2JAK3KCNH2
SCHEMBL24615600 0.80 JAK1 (0.40) JAK1JAK2TYK2JAK3RET

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