SCHEMBL31507470

SCHEMBL31507470

c1cc(-c2ccno2)cc(-c2c[nH]c3ncccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 6/20 0.65
▸ MAP4K4 O95819 3/20 0.65
▸ PIM1 P11309 3/20 0.65
▸ PRKACA P17612 3/20 0.65
▸ GSK3B P49841 3/20 0.65
▸ HIPK2 Q9H2X6 3/20 0.65
▸ CLK4 Q9HAZ1 3/20 0.65
▸ ROCK2 O75116 2/20 0.65
▸ CDK2 P24941 2/20 0.65
▸ IRAK4 Q9NWZ3 1/20 0.65
▸ JAK3 P52333 2/20 0.50
▸ DYRK1B Q9Y463 2/20 0.49
▸ BRD4 O60885 1/20 0.48
▸ DYRK1A Q13627 8/20 0.47
▸ DAPK3 O43293 2/20 0.47
▸ FLT3 P36888 2/20 0.47
▸ CLK2 P49760 2/20 0.47
▸ CDK7 P50613 2/20 0.47
▸ CDK9 P50750 2/20 0.47
▸ PRKX P51817 2/20 0.47

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
SCHEMBL4443567 0.84 CDC7 (0.52) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL12127498 0.82 NUDT1 (0.61) MAP4K4PRKACACLK4JAK3DYRK1B
SCHEMBL18418494 0.80 CDC7 (0.71) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL857180 0.76 CDC7 (0.69) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL857887 0.76 CDC7 (0.69) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL857471 0.76 CDC7 (0.64) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL3740263 0.75 CAMKK2 (0.69) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL17895432 0.73 CDC7 (0.69) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL29484276 0.73 CDC7 (0.69) CDC7MAP4K4PIM1PRKACAGSK3B
SCHEMBL4827398 0.73 CDC7 (0.53) CDC7MAP4K4PIM1PRKACAGSK3B

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-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 — — CN disclosed
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