SCHEMBL24615600

SCHEMBL24615600

COc1ccc(-c2cc3c(N4CC5CCC(C4)N5C(=O)[C@@H]4C[C@H]4F)ccnn3c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.40
JAK2 O60674 7/20 0.40
TYK2 P29597 7/20 0.40
JAK3 P52333 5/20 0.37
SCD5 Q86SK9 2/20 0.34
SCD O00767 2/20 0.34
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
MCHR1 Q99705 1/20 0.32
KIT P10721 2/20 0.32
FFAR1 O14842 1/20 0.32
RET P07949 1/20 0.31
TRPC6 Q9Y210 2/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
ROCK2 O75116 1/20 0.30
CYP3A4 P08684 1/20 0.30
KCNH2 Q12809 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL24615424 0.89 TYK2 (0.41) JAK1JAK2TYK2JAK3MCHR1
SCHEMBL24615601 0.88 TYK2 (0.41) JAK1JAK2TYK2JAK3SMARCA2
SCHEMBL24615420 0.88 TYK2 (0.41) JAK1JAK2TYK2JAK3SMARCA2
SCHEMBL29772821 0.88 JAK1 (0.40) JAK1JAK2TYK2JAK3MCHR1
SCHEMBL24615598 0.88 JAK1 (0.42) JAK1JAK2TYK2JAK3KIT
SCHEMBL29772862 0.86 JAK1 (0.44) JAK1JAK2TYK2JAK3SMARCA2
SCHEMBL24615583 0.86 JAK1 (0.44) JAK1JAK2TYK2JAK3SMARCA2
SCHEMBL24615433 0.82 JAK2 (0.49) JAK1JAK2TYK2JAK3KIT
SCHEMBL24615367 0.82 TYK2 (0.42) JAK1JAK2TYK2JAK3KIT
SCHEMBL24615368 0.82 TYK2 (0.41) JAK1JAK2TYK2JAK3KIT

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