SCHEMBL29200836

SCHEMBL29200836

CC(=O)Nc1nccnc1N

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
PRKCI P41743 6/20 0.40
ATR Q13535 1/20 0.40
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PIK3C3 Q8NEB9 4/20 0.35
GAA P10253 1/20 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
SCHEMBL25644287 0.77 L3MBTL1 (0.42) L3MBTL1ALDH1A1PIK3C3GAA
SCHEMBL19706550 0.75 L3MBTL1 (0.41) L3MBTL1GAA
SCHEMBL11638793 0.75 L3MBTL1 (0.41) L3MBTL1ALDH1A1GAA
SCHEMBL11372296 0.75 PTK2 (0.43) L3MBTL1ALDH1A1GAA
SCHEMBL24347805 0.75 L3MBTL1 (0.41) L3MBTL1ALDH1A1GAA
SCHEMBL28162119 0.75 ALDH1A1 (0.40) L3MBTL1PRKCIATRALDH1A1GAA
SCHEMBL9390990 0.75 KMT2A (0.46) L3MBTL1ALDH1A1
SCHEMBL28389860 0.74 MAP4K4 (0.43) PRKCIATR
SCHEMBL8324829 0.73 KMT2A (0.49) L3MBTL1ALDH1A1
SCHEMBL13905150 0.73 GSK3B (0.46) L3MBTL1

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
CN-114907276-B Alpha-substituted amino-pyrazineacetamide derivative, and preparation method and application thereof 山东大学 2024-01-26 CN disclosed