SCHEMBL27291002

SCHEMBL27291002

COc1c(Nc2nc(Nc3ccccn3)ncc2C(N)=O)cccc1-c1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.45
▸ JAK2 O60674 4/20 0.45
▸ JAK3 P52333 4/20 0.45
▸ JAK1 P23458 3/20 0.45
▸ SYK P43405 7/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPK9 P45984 3/20 0.41
▸ MAPK8 P45983 2/20 0.41
▸ MAP4K1 Q92918 3/20 0.40
▸ PTK2 Q05397 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

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
SCHEMBL30923183 1.00 TYK2 (0.45) TYK2JAK2JAK3JAK1SYK
SCHEMBL30923307 0.93 NPSR1 (0.45) TYK2JAK2JAK3JAK1NPSR1
SCHEMBL27294096 0.93 NPSR1 (0.45) TYK2JAK2JAK3JAK1NPSR1
SCHEMBL27290901 0.89 SYK (0.41) TYK2JAK2JAK3JAK1SYK
SCHEMBL27294154 0.89 ALDH1A1 (0.50) TYK2NPSR1HSD17B10PTK2IGF1R
SCHEMBL27291710 0.89 HSD17B10 (0.42) TYK2JAK2JAK3JAK1SYK
SCHEMBL27290762 0.88 TYK2 (0.46) TYK2JAK2JAK3JAK1SYK
SCHEMBL30923195 0.87 SYK (0.44) TYK2JAK2JAK3JAK1SYK
SCHEMBL27290903 0.87 SYK (0.44) TYK2JAK2JAK3JAK1SYK
SCHEMBL27291804 0.87 HSD17B10 (0.42) TYK2JAK1NPSR1HSD17B10PTK2

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
Send feedback