SCHEMBL22858799

SCHEMBL22858799

Cc1cc(-c2cn(SI)c3ncc(-c4cc(C)c5c(c4)CN(C)CC5)nc23)ccc1C(=O)N(C)CC(C)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.57
▸ JAK2 O60674 4/20 0.33
▸ JAK1 P23458 4/20 0.33
▸ TYK2 P29597 4/20 0.33
▸ JAK3 P52333 4/20 0.33

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
SCHEMBL22859186 0.90 MAP4K1 (0.45) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29609242 0.86 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608845 0.86 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858995 0.85 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29930100 0.85 MAP4K1 (0.53) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858695 0.85 MAP4K1 (0.51) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858721 0.84 MAP4K1 (0.51) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858765 0.84 MAP4K1 (0.81) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858867 0.84 MAP4K1 (0.81) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858777 0.84 MAP4K1 (0.81) 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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