SCHEMBL27293368

SCHEMBL27293368

CN/C=C(\C=N)CNc1ncc(C(=O)O)c(Nc2cccc(-c3nnc(C)o3)c2OC)n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 3/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ LRRK2 Q5S007 4/20 0.35
▸ SYK P43405 8/20 0.34
▸ AXL P30530 1/20 0.34
▸ MAP4K1 Q92918 2/20 0.34
▸ MAP4K3 Q8IVH8 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ FLT3 P36888 1/20 0.33
▸ P2RX3 P56373 1/20 0.33

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
SCHEMBL27298318 0.94 TYK2 (0.44) TYK2JAK1SYK
SCHEMBL27293384 0.93 TYK2 (0.43) TYK2JAK1LRRK2
SCHEMBL27298258 0.81 TYK2 (0.44) TYK2JAK1LRRK2SYKAXL
SCHEMBL27293373 0.79 JAK1 (0.44) TYK2JAK1SYKAXL
SCHEMBL27294015 0.78 TYK2 (0.59) TYK2JAK1LRRK2AXL
SCHEMBL27417191 0.76 JAK3 (0.49) TYK2JAK1SYKAXL
SCHEMBL27293273 0.75 TYK2 (0.41) TYK2JAK1LRRK2SYKMAP4K1
SCHEMBL30923201 0.74 TYK2 (0.51) TYK2JAK1
SCHEMBL30923204 0.74 TYK2 (0.51) TYK2JAK1
SCHEMBL27293318 0.73 TYK2 (0.44) TYK2JAK1LRRK2SYKAXL

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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