SCHEMBL22858801

SCHEMBL22858801

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(C)CC5)nc23)ccc1C(=O)N1CC2(COC2)C1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.71
▸ JAK2 O60674 6/20 0.39
▸ JAK1 P23458 6/20 0.39
▸ TYK2 P29597 6/20 0.39
▸ JAK3 P52333 6/20 0.39
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ MAP3K11 Q16584 1/20 0.36
▸ MAPK1 P28482 3/20 0.35
▸ PAK1 Q13153 2/20 0.34
▸ PKN1 Q16512 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ CAMKK2 Q96RR4 1/20 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
SCHEMBL29608808 1.00 MAP4K1 (0.71) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29609616 0.94 MAP4K1 (0.66) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858993 0.94 MAP4K1 (0.66) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858770 0.90 MAP4K1 (0.75) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL21592780 0.87 MAP4K1 (0.52) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29608700 0.87 MAP4K1 (0.75) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858768 0.87 MAP4K1 (0.75) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL29607707 0.83 MAP4K1 (1.00) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858757 0.83 MAP4K1 (1.00) MAP4K1JAK2JAK1TYK2JAK3
SCHEMBL22858802 0.83 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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