SCHEMBL29638372

SCHEMBL29638372

COc1cccc(-n2[nH]c(=O)c3cnc(Nc4cc(C)nc(C)n4)cc32)c1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 13/20 0.42
JAK1 P23458 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PLK1 P53350 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
ALOX15 P16050 1/20 0.34
SRC P12931 1/20 0.33
BTK Q06187 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPK1 P28482 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
SCHEMBL29638449 0.89 TYK2 (0.42) TYK2JAK1PLK1SRCBTK
SCHEMBL24557255 0.89 TYK2 (0.42) TYK2JAK1PLK1SRCBTK
SCHEMBL29638436 0.87 TYK2 (0.51) TYK2JAK1
SCHEMBL24557300 0.87 TYK2 (0.51) TYK2JAK1
SCHEMBL29638331 0.86 JAK1 (0.43) TYK2JAK1JAK2SRCBTK
SCHEMBL24557265 0.86 JAK1 (0.43) TYK2JAK1JAK2SRCBTK
SCHEMBL29638454 0.85 TYK2 (0.41) TYK2PLK1SRCBTK
SCHEMBL29638443 0.84 TYK2 (0.51) TYK2JAK1JAK3SRC
SCHEMBL29638317 0.83 TYK2 (0.42) TYK2JAK1JAK2
SCHEMBL29638361 0.83 TYK2 (0.38) TYK2JAK1PLK1JAK3SRC

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-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 WO disclosed