SCHEMBL22858802

SCHEMBL22858802

Cc1cc(-c2cn(SI)c3ncc(-c4cc(C)c5c(c4)CN(C)CC5)nc23)ccc1C(=O)N1CC2(COC2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.49
▸ JAK2 O60674 6/20 0.38
▸ JAK1 P23458 6/20 0.38
▸ TYK2 P29597 6/20 0.38
▸ JAK3 P52333 6/20 0.38
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ RORC P51449 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ GABRA5 P31644 1/20 0.30

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
SCHEMBL22859187 0.88 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL28865138 0.85 MAP4K1 (0.47) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29607906 0.85 MAP4K1 (0.47) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922462 0.83 MAP4K1 (0.39) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858801 0.83 MAP4K1 (0.71) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608808 0.83 MAP4K1 (0.71) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859007 0.83 MAP4K1 (0.49) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22922545 0.81 PIK3C3 (0.37) JAK2JAK1TYK2JAK3PIK3C3
SCHEMBL22858799 0.80 MAP4K1 (0.57) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858996 0.80 MAP4K1 (0.49) 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
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 — — WO disclosed
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