SCHEMBL27291099

SCHEMBL27291099

COc1c(Nc2nc(NC(C)c3cn(C)nc3C)ncc2C(N)=O)cccc1-c1ncn(C)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 10/20 0.48
▸ TYK2 P29597 8/20 0.46
▸ JAK1 P23458 7/20 0.46
▸ KCNH2 Q12809 3/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ JAK2 O60674 1/20 0.44
▸ STAT3 P40763 1/20 0.42

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
SCHEMBL27414932 0.88 TYK2 (0.49) SYKTYK2JAK1KCNH2JAK3
SCHEMBL31711632 0.88 TYK2 (0.49) SYKTYK2JAK1KCNH2JAK3
SCHEMBL30923289 0.88 JAK1 (0.45) SYKTYK2JAK1KCNH2JAK3
SCHEMBL27291299 0.88 JAK1 (0.45) SYKTYK2JAK1KCNH2JAK3
SCHEMBL27298190 0.87 JAK1 (0.44) SYKTYK2JAK1KCNH2JAK3
SCHEMBL27291200 0.86 SYK (0.47) SYKTYK2JAK1JAK3JAK2
SCHEMBL30923162 0.86 SYK (0.47) SYKTYK2JAK1JAK3JAK2
SCHEMBL27415083 0.83 JAK1 (0.46) SYKTYK2JAK1KCNH2JAK3
SCHEMBL31711637 0.83 JAK1 (0.46) SYKTYK2JAK1KCNH2JAK3
SCHEMBL31711662 0.83 TYK2 (0.48) SYKTYK2JAK1KCNH2JAK3

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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