SCHEMBL22858781

SCHEMBL22858781

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.58
▸ JAK2 O60674 5/20 0.35
▸ JAK1 P23458 5/20 0.35
▸ TYK2 P29597 5/20 0.35
▸ JAK3 P52333 5/20 0.35
▸ S1PR1 P21453 6/20 0.34
▸ EED O75530 1/20 0.34
▸ SUZ12 Q15022 1/20 0.34
▸ EZH2 Q15910 1/20 0.34
▸ S1PR5 Q9H228 2/20 0.33
▸ S1PR3 Q99500 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
SCHEMBL22859060 0.94 MAP4K1 (0.58) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858782 0.91 MAP4K1 (0.55) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608004 0.88 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859015 0.86 MAP4K1 (0.80) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29609110 0.86 MAP4K1 (0.80) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22859064 0.85 MAP4K1 (0.55) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858815 0.83 MAP4K1 (0.55) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858946 0.83 MAP4K1 (0.54) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608868 0.82 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608179 0.81 MAP4K1 (0.52) 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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