SCHEMBL24615598

SCHEMBL24615598

COc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.42
JAK3 P52333 14/20 0.42
KIT P10721 1/20 0.42
JAK2 O60674 10/20 0.42
TYK2 P29597 10/20 0.42
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41
ROCK1 Q13464 1/20 0.41
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
SCHEMBL24615599 0.90 JAK1 (0.39) JAK1JAK3KITJAK2TYK2
SCHEMBL24615583 0.90 JAK1 (0.44) JAK1JAK3KITJAK2TYK2
SCHEMBL29772862 0.90 JAK1 (0.44) JAK1JAK3KITJAK2TYK2
SCHEMBL24615424 0.89 TYK2 (0.41) JAK1JAK3KITJAK2TYK2
SCHEMBL29772821 0.88 JAK1 (0.40) JAK1JAK3KITJAK2TYK2
SCHEMBL24615600 0.88 JAK1 (0.40) JAK1JAK3KITJAK2TYK2
SCHEMBL24615420 0.87 TYK2 (0.41) JAK1JAK3KITJAK2TYK2
SCHEMBL24615601 0.85 TYK2 (0.41) JAK1JAK3JAK2TYK2
SCHEMBL24615433 0.84 JAK2 (0.49) JAK1JAK3KITJAK2TYK2
SCHEMBL24615410 0.83 TYK2 (0.45) JAK1JAK3KITJAK2TYK2

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