SCHEMBL25749407

SCHEMBL25749407

CNC(=O)c1cnc(Nc2ccc(C#N)cc2)nc1Nc1cccc(-c2ncn(C)n2)c1OC

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 19/20 0.65
▸ JAK1 P23458 6/20 0.65
▸ KCNH2 Q12809 3/20 0.65
▸ STAT3 P40763 1/20 0.65
▸ JAK2 O60674 2/20 0.47

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
SCHEMBL30465857 0.95 TYK2 (0.58) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL31095902 0.92 TYK2 (0.56) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL25671619 0.92 TYK2 (0.56) TYK2JAK1KCNH2STAT3JAK2
Lithium SCHEMBL31017478 0.91 TYK2 (0.56) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL29883117 0.91 TYK2 (0.77) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL29232108 0.91 TYK2 (0.77) TYK2JAK1KCNH2STAT3JAK2
Lithium Ion SCHEMBL31096018 0.91 TYK2 (0.57) TYK2JAK1KCNH2STAT3JAK2
Lithium Ion SCHEMBL27199285 0.91 TYK2 (0.57) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL29232081 0.90 TYK2 (0.59) TYK2JAK1KCNH2STAT3JAK2
SCHEMBL29883180 0.90 TYK2 (0.59) TYK2JAK1KCNH2STAT3JAK2

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-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 — — WO disclosed
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