SCHEMBL27290488

SCHEMBL27290488

COc1c(Nc2nc(Nc3ccccn3)ncc2C(N)=O)cccc1-c1cc[nH]c(=O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 6/20 0.46
▸ JAK2 O60674 5/20 0.46
▸ TYK2 P29597 4/20 0.46
▸ JAK1 P23458 4/20 0.46
▸ SYK P43405 9/20 0.46
▸ MAPK9 P45984 3/20 0.42
▸ MAPK8 P45983 2/20 0.42
▸ MAPK10 P53779 1/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ MAP4K1 Q92918 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ DCLK1 O15075 1/20 0.40
▸ CHUK O15111 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PRKD3 O94806 1/20 0.40

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
SCHEMBL27290259 0.89 JAK3 (0.51) JAK3JAK2TYK2JAK1SYK
SCHEMBL30923225 0.89 JAK3 (0.51) JAK3JAK2TYK2JAK1SYK
SCHEMBL27290481 0.86 JAK2 (0.47) JAK3JAK2TYK2JAK1SYK
SCHEMBL27292151 0.86 JAK3 (0.47) JAK3JAK2TYK2JAK1SYK
SCHEMBL27289879 0.86 TYK2 (0.52) JAK3JAK2TYK2JAK1SYK
SCHEMBL30923144 0.86 TYK2 (0.52) JAK3JAK2TYK2JAK1SYK
SCHEMBL30923147 0.82 JAK2 (0.48) JAK3JAK2TYK2JAK1SYK
SCHEMBL27290899 0.82 JAK2 (0.48) JAK3JAK2TYK2JAK1SYK
SCHEMBL30923280 0.81 PTK2 (0.45) JAK3JAK2TYK2JAK1SYK
SCHEMBL27295941 0.81 PTK2 (0.45) JAK3JAK2TYK2JAK1SYK

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-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 — — WO disclosed
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