SCHEMBL29947323

SCHEMBL29947323

NC(=O)c1cc2nc(-c3ccncc3)ncc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 6/20 0.54
▸ GSK3A P49840 6/20 0.54
▸ GSK3B P49841 6/20 0.54
▸ CDK5 Q00535 6/20 0.54
▸ PRKACA P17612 5/20 0.54
▸ RPS6KA3 P51812 5/20 0.54
▸ DYRK1A Q13627 5/20 0.54
▸ DAPK3 O43293 4/20 0.54
▸ KDR P35968 4/20 0.54
▸ MAPK8 P45983 4/20 0.54
▸ LIMK1 P53667 4/20 0.54
▸ ROCK1 Q13464 4/20 0.54
▸ CSNK1A1 P48729 4/20 0.54
▸ CLK2 P49760 4/20 0.54
▸ MAP4K2 Q12851 4/20 0.54
▸ CLK4 Q9HAZ1 4/20 0.54
▸ FLT1 P17948 3/20 0.54
▸ PRKD3 O94806 3/20 0.54
▸ FGFR1 P11362 3/20 0.54
▸ PRKAA1 Q13131 3/20 0.54

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
SCHEMBL15319514 0.88 DAPK3 (0.51) PIM1GSK3AGSK3BCDK5PRKACA
SCHEMBL22777777 0.74 PLK4 (0.47) PIM1GSK3AGSK3BPRKACARPS6KA3
SCHEMBL14836012 0.73 CHEK1 (0.47) PIM1GSK3AGSK3BCDK5PRKACA
SCHEMBL29947391 0.72 ABCG2 (0.37) CDK5DYRK1AKDRROCK1CLK2
SCHEMBL19578701 0.70 DAPK3 (0.43) PIM1GSK3AGSK3BCDK5PRKACA
SCHEMBL28769185 0.70 DAPK3 (0.76) PIM1GSK3AGSK3BCDK5PRKACA
SCHEMBL29944203 0.70 PIM1 (1.00) PIM1GSK3AGSK3BCDK5PRKACA
SCHEMBL9230695 0.70 PIM1 (1.00) PIM1GSK3AGSK3BCDK5PRKACA
SCHEMBL15319398 0.70 ICAM1 (0.55) PIM1GSK3AGSK3BCDK5PRKACA
SCHEMBL31533914 0.70 ICAM1 (0.55) PIM1GSK3AGSK3BCDK5PRKACA

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-115135659-B Morpholine derivative, and preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-03-12 — — CN disclosed
CN-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 — — CN disclosed
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