SCHEMBL22859083

SCHEMBL22859083

Cc1cc(-c2c[nH]c3ncc(-c4cc(C)c5c(c4)CN(CCC(=O)NC4CCC(O)CC4)CC5)nc23)ccc1C(=O)N(C)C

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 8/20 0.71
▸ PIK3CG P48736 7/20 0.35
▸ TNIK Q9UKE5 1/20 0.35
▸ JAK3 P52333 4/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ TYK2 P29597 2/20 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
SCHEMBL22858717 1.00 MAP4K1 (0.71) MAP4K1PIK3CGTNIKJAK3JAK2
SCHEMBL22859080 1.00 MAP4K1 (0.71) MAP4K1PIK3CGTNIKJAK3JAK2
SCHEMBL22858791 0.98 MAP4K1 (0.73) MAP4K1PIK3CGTNIKJAK3JAK2
SCHEMBL22858836 0.97 MAP4K1 (0.70) MAP4K1PIK3CGTNIKJAK3JAK2
SCHEMBL22858937 0.95 MAP4K1 (0.72) MAP4K1PIK3CGTNIKJAK3JAK2
SCHEMBL29609255 0.94 MAP4K1 (0.63) MAP4K1PIK3CGTNIKJAK3
SCHEMBL22858834 0.94 MAP4K1 (0.63) MAP4K1PIK3CGTNIKJAK3
SCHEMBL22858796 0.94 MAP4K1 (0.69) MAP4K1PIK3CGTNIKJAK3JAK2
SCHEMBL29608979 0.94 MAP4K1 (0.69) MAP4K1PIK3CGTNIKJAK3JAK2
SCHEMBL22858731 0.92 MAP4K1 (0.65) MAP4K1PIK3CGTNIKJAK3

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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