SCHEMBL27290131

SCHEMBL27290131

COc1c(Nc2nc(Nc3cccnc3)ncc2C(N)=O)cccc1-c1ncn(C)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 15/20 0.47
▸ TYK2 P29597 13/20 0.47
▸ JAK2 O60674 5/20 0.46
▸ KCNH2 Q12809 3/20 0.46
▸ JAK3 P52333 9/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ STAT3 P40763 1/20 0.45
▸ AXL P30530 1/20 0.44

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
SCHEMBL30923244 0.92 TYK2 (0.48) JAK1TYK2JAK2KCNH2STAT3
SCHEMBL27290127 0.92 JAK1 (0.48) JAK1TYK2JAK2KCNH2JAK3
SCHEMBL27298988 0.92 TYK2 (0.48) JAK1TYK2JAK2KCNH2STAT3
SCHEMBL27289979 0.89 TYK2 (0.48) JAK1TYK2JAK2KCNH2JAK3
SCHEMBL27290897 0.89 EGFR (0.55) JAK1TYK2JAK2KCNH2JAK3
SCHEMBL27295069 0.89 JAK2 (0.48) JAK1TYK2JAK2KCNH2STAT3
SCHEMBL31711636 0.88 JAK3 (0.61) JAK1TYK2JAK2JAK3
SCHEMBL27414685 0.88 JAK3 (0.61) JAK1TYK2JAK2JAK3
SCHEMBL27290616 0.88 TYK2 (0.49) JAK1TYK2JAK2KCNH2JAK3
SCHEMBL27289981 0.87 TYK2 (0.58) JAK1TYK2JAK2KCNH2STAT3

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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