SCHEMBL22859033

SCHEMBL22859033

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(CCC(=O)NC[C@H](C)O)CC5)nc23)ccc1C(=O)N(C)C

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 7/20 0.73
▸ PIK3CG P48736 10/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ JAK3 P52333 2/20 0.35

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
SCHEMBL22859056 1.00 MAP4K1 (0.73) MAP4K1PIK3CGTNIKJAK2JAK1
SCHEMBL22859053 1.00 MAP4K1 (0.73) MAP4K1PIK3CGTNIKJAK2JAK1
SCHEMBL29608811 1.00 MAP4K1 (0.73) MAP4K1PIK3CGTNIKJAK2JAK1
SCHEMBL29607902 1.00 MAP4K1 (0.73) MAP4K1PIK3CGTNIKJAK2JAK1
SCHEMBL22858705 0.92 MAP4K1 (0.73) MAP4K1PIK3CGTNIKJAK2JAK1
SCHEMBL22858716 0.92 MAP4K1 (0.77) MAP4K1PIK3CGTNIKJAK2JAK1
SCHEMBL29609233 0.92 MAP4K1 (0.77) MAP4K1PIK3CGTNIKJAK2JAK1
SCHEMBL22858719 0.91 MAP4K1 (0.72) MAP4K1PIK3CGTNIKJAK2JAK1
SCHEMBL22858727 0.91 MAP4K1 (0.74) MAP4K1PIK3CGTNIKJAK2JAK1
SCHEMBL22858839 0.91 MAP4K1 (0.72) MAP4K1PIK3CGTNIKJAK2JAK1

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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