SCHEMBL24615410

SCHEMBL24615410

Cc1cc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 14/20 0.45
JAK1 P23458 13/20 0.45
JAK2 O60674 12/20 0.45
JAK3 P52333 5/20 0.44
KCNH2 Q12809 2/20 0.40
GRM2 Q14416 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
KIT P10721 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33

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
SCHEMBL29772862 0.89 JAK1 (0.44) TYK2JAK1JAK2JAK3KIT
SCHEMBL24615583 0.89 JAK1 (0.44) TYK2JAK1JAK2JAK3KIT
SCHEMBL24615407 0.89 TYK2 (0.46) TYK2JAK1JAK2JAK3KCNH2
SCHEMBL24615408 0.88 TYK2 (0.42) TYK2JAK1JAK2JAK3KCNH2
SCHEMBL24615426 0.88 TYK2 (0.42) TYK2JAK1JAK2JAK3KIT
SCHEMBL24615367 0.88 TYK2 (0.42) TYK2JAK1JAK2JAK3KIT
SCHEMBL24615414 0.87 JAK1 (0.42) TYK2JAK1JAK2JAK3KIT
SCHEMBL24615358 0.87 KIT (0.46) TYK2JAK1JAK2JAK3KIT
SCHEMBL24615433 0.86 JAK2 (0.49) TYK2JAK1JAK2JAK3KIT
SCHEMBL24615448 0.85 JAK1 (0.41) TYK2JAK1JAK2JAK3KIT

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