SCHEMBL30893067

SCHEMBL30893067

Cc1cc(-c2cn(S(=O)(=O)Cc3ccccc3)c3ncc(-c4cc(C)c5c(c4)CCN(C(=O)OC(C)(C)C)C5)nc23)ccc1C(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.45
▸ GPR119 Q8TDV5 11/20 0.37
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ JAK3 P52333 2/20 0.33
▸ MAP3K5 Q99683 3/20 0.33
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL30215928 0.87 MAP4K1 (0.46) MAP4K1GPR119NR1H2NR1H3JAK2
SCHEMBL29216551 0.87 MAP4K1 (0.46) MAP4K1GPR119NR1H2NR1H3JAK2
SCHEMBL30215951 0.81 MAP4K1 (0.39) MAP4K1GPR119
SCHEMBL30893064 0.81 MAP4K1 (0.39) MAP4K1GPR119
SCHEMBL29216559 0.81 MAP4K1 (0.39) MAP4K1GPR119
SCHEMBL24954299 0.79 MAP4K1 (0.70) MAP4K1GPR119NR1H2NR1H3JAK2
SCHEMBL30215947 0.79 MAP4K1 (0.70) MAP4K1GPR119NR1H2NR1H3JAK2
SCHEMBL30893063 0.79 MAP4K1 (0.70) MAP4K1GPR119NR1H2NR1H3JAK2
SCHEMBL24954317 0.78 MAP4K1 (0.41) MAP4K1GPR119MAP3K5
SCHEMBL29930100 0.78 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3

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-118043324-A Pyrrolo [2,3-b ] pyrazine-based bifunctional compounds as HPK1 degradants and uses thereof 百济神州有限公司 2024-05-14 — — CN disclosed
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