SCHEMBL29507273

SCHEMBL29507273

CC(=O)Nc1cc(CO)ccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
NR3C2 P08235 9/20 0.49
PIK3C3 Q8NEB9 5/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
AURKA O14965 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
RECQL P46063 1/20 0.46
MAPK14 Q16539 1/20 0.44

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
SCHEMBL501285 1.00 L3MBTL1 (0.52) L3MBTL1NR3C2PIK3C3JAK2JAK1
SCHEMBL91333 0.86 RIOK2 (0.57) L3MBTL1NR3C2PIK3C3JAK2JAK1
SCHEMBL7671508 0.86 L3MBTL1 (0.52) L3MBTL1NR3C2PIK3C3JAK2JAK1
SCHEMBL2642713 0.85 L3MBTL1 (0.50) L3MBTL1NR3C2PIK3C3JAK2JAK1
SCHEMBL21847287 0.85 L3MBTL1 (0.50) L3MBTL1NR3C2PIK3C3JAK2JAK1
SCHEMBL23015674 0.85 NR3C2 (0.55) L3MBTL1NR3C2PIK3C3MAPK14
SCHEMBL2642714 0.85 LOXL2 (0.58) L3MBTL1NR3C2PIK3C3JAK2JAK1
SCHEMBL4309482 0.85 L3MBTL1 (0.50) L3MBTL1NR3C2PIK3C3JAK2JAK1
SCHEMBL30893838 0.85 L3MBTL1 (0.50) L3MBTL1NR3C2PIK3C3JAK2JAK1
SCHEMBL5913167 0.84 NR3C2 (0.53) NR3C2RECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114341127-B Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-12-17 CN disclosed
CN-114341127-A Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2022-04-12 CN disclosed