SCHEMBL27290621

SCHEMBL27290621

COc1c(Nc2nc(Nc3cccc(C)n3)ncc2C(N)=O)cccc1-c1ncn(C)n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 17/20 0.53
▸ JAK1 P23458 7/20 0.53
▸ KCNH2 Q12809 3/20 0.50
▸ JAK2 O60674 3/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ STAT3 P40763 1/20 0.46
▸ SYK P43405 1/20 0.45

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
SCHEMBL30923301 1.00 TYK2 (0.53) TYK2JAK1KCNH2JAK2JAK3
SCHEMBL27293787 0.92 TYK2 (0.53) TYK2JAK1KCNH2JAK2STAT3
SCHEMBL30923102 0.92 TYK2 (0.53) TYK2JAK1KCNH2JAK2STAT3
SCHEMBL27290121 0.90 TYK2 (0.57) TYK2JAK1KCNH2JAK2JAK3
SCHEMBL27290768 0.90 TYK2 (0.67) TYK2JAK1KCNH2JAK2STAT3
SCHEMBL30923199 0.90 TYK2 (0.51) TYK2JAK1KCNH2JAK2STAT3
SCHEMBL27293829 0.90 TYK2 (0.51) TYK2JAK1KCNH2JAK2STAT3
SCHEMBL30923163 0.89 TYK2 (0.53) TYK2JAK1KCNH2JAK2STAT3
SCHEMBL27290116 0.89 TYK2 (0.53) TYK2JAK1KCNH2JAK2STAT3
SCHEMBL27290258 0.88 TYK2 (0.51) TYK2JAK1KCNH2JAK2STAT3

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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