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Lithium

Lithium

SCHEMBL31017478

COc1c(Nc2nc(Nc3ccc(C#N)cc3)ncc2C(=O)O)cccc1-c1ncn(C)n1.[Li]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 14/20 0.56
▸ JAK1 P23458 6/20 0.56
▸ KCNH2 Q12809 3/20 0.56
▸ STAT3 P40763 1/20 0.56
▸ AXL P30530 2/20 0.46
▸ JAK2 O60674 2/20 0.45
▸ MAPK9 P45984 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ AURKA O14965 1/20 0.43

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
SCHEMBL31095902 0.93 TYK2 (0.56) TYK2JAK1KCNH2STAT3AXL
SCHEMBL25671619 0.93 TYK2 (0.56) TYK2JAK1KCNH2STAT3AXL
SCHEMBL25749407 0.91 TYK2 (0.65) TYK2JAK1KCNH2STAT3JAK2
Lithium Ion SCHEMBL27199285 0.91 TYK2 (0.57) TYK2JAK1KCNH2STAT3AXL
Lithium Ion SCHEMBL31096018 0.91 TYK2 (0.57) TYK2JAK1KCNH2STAT3AXL
Lithium SCHEMBL31017345 0.90 AXL (0.51) TYK2JAK1KCNH2STAT3AXL
SCHEMBL30465857 0.89 TYK2 (0.58) TYK2JAK1KCNH2STAT3AXL
SCHEMBL27295670 0.88 TYK2 (0.48) TYK2JAK1KCNH2STAT3AXL
SCHEMBL30923150 0.88 TYK2 (0.48) TYK2JAK1KCNH2STAT3AXL
SCHEMBL31711659 0.85 JAK1 (0.51) TYK2JAK1KCNH2AXLJAK2

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
CN-118401516-A TYK2 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 — — CN disclosed
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