SCHEMBL28880772

SCHEMBL28880772

Nc1nc2cccc(-c3ccccc3)n2c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.50
▸ MAP2K1 Q02750 3/20 0.46
▸ DYRK1B Q9Y463 3/20 0.46
▸ NTRK1 P04629 3/20 0.46
▸ RPS6KA3 P51812 3/20 0.46
▸ MAP4K4 O95819 2/20 0.46
▸ PRKACA P17612 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ CDK8 P49336 2/20 0.46
▸ MAP4K2 Q12851 2/20 0.46
▸ ROCK1 Q13464 2/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ DAPK3 O43293 2/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ FYN P06241 2/20 0.46
▸ PDGFRB P09619 2/20 0.46
▸ FLT3 P36888 2/20 0.46
▸ MAPK8 P45983 2/20 0.46
▸ GSK3B P49841 2/20 0.46

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
SCHEMBL29822663 0.74 KDM4E (0.46) NUDT1MAP2K1DYRK1BNTRK1RPS6KA3
SCHEMBL19048703 0.71 USP7 (0.76) MAP2K1DYRK1BNTRK1RPS6KA3MAP4K4
SCHEMBL14999132 0.68 RAB9A (0.45) MAP2K1DYRK1BNTRK1MAP4K4PRKACA
SCHEMBL2144054 0.67 NUDT1 (1.00) NUDT1MAP2K1DYRK1BMAP4K4PRKACA
SCHEMBL29822768 0.65 KDR (0.40) NUDT1MAP2K1DYRK1BNTRK1RPS6KA3
SCHEMBL29822761 0.65 NUDT1 (0.39) NUDT1MAP2K1DYRK1BNTRK1RPS6KA3
SCHEMBL29822889 0.65 GAA (0.53) NUDT1MAP2K1DYRK1BNTRK1RPS6KA3
SCHEMBL10584393 0.64 NOS2 (0.48) NUDT1CLK4USP7ADORA2AADORA1
SCHEMBL11377976 0.64 SMN1; SMN2 (0.47) NUDT1MAP2K1DYRK1BNTRK1RPS6KA3
SCHEMBL1318629 0.63 AKT1 (0.53) NTRK1RPS6KA3KDRFLT3LTK

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-115286629-B Method for preparing medicine intermediate 3-anilioimidazole [1,2-a ] pyridine derivative through catalysis 安徽工业大学 2023-06-23 — — CN disclosed
CN-115286629-A Method for preparing medical intermediate 3-phenylamino imidazole [1,2-a ] pyridine derivative through catalysis 安徽工业大学 2022-11-04 — — CN disclosed
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