SCHEMBL22859187

SCHEMBL22859187

Cc1cc(-c2cn(SI)c3ncc(-c4cc(C)c5c(c4)CN(C)CC5)nc23)ccc1C(=O)N1CC(O)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.52
▸ JAK2 O60674 6/20 0.37
▸ JAK1 P23458 6/20 0.37
▸ TYK2 P29597 6/20 0.37
▸ JAK3 P52333 6/20 0.37
▸ ALOX5AP P20292 4/20 0.34
▸ FEN1 P39748 4/20 0.34
▸ PIK3CA P42336 3/20 0.31
▸ MTOR P42345 3/20 0.31
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL22858802 0.88 MAP4K1 (0.49) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859007 0.85 MAP4K1 (0.49) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608393 0.84 MAP4K1 (0.49) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858799 0.82 MAP4K1 (0.57) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608700 0.82 MAP4K1 (0.75) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858768 0.82 MAP4K1 (0.75) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858996 0.82 MAP4K1 (0.49) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858995 0.80 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858972 0.80 ALOX5AP (0.35) JAK2JAK1TYK2JAK3ALOX5AP
SCHEMBL22858695 0.79 MAP4K1 (0.51) 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
Send feedback