SCHEMBL25375614

SCHEMBL25375614

CCCC[C@](C)(COC(=O)c1cnn(C)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ AAK1 Q2M2I8 7/20 0.33
▸ RORC P51449 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL25375616 1.00 GSK3B (0.37) GSK3BDYRK1AAAK1RORCKDM1A
SCHEMBL25374512 0.83 SMN1; SMN2 (0.41) GSK3BDYRK1ARORCKDM1ACNR2
SCHEMBL25374519 0.83 SMN1; SMN2 (0.41) GSK3BDYRK1ARORCKDM1ACNR2
SCHEMBL25376152 0.78 L3MBTL1 (0.34) SMN1; SMN2GRNSORT1HTR1ACYP2D6
SCHEMBL25376158 0.78 L3MBTL1 (0.34) SMN1; SMN2GRNSORT1HTR1ACYP2D6
SCHEMBL30159225 0.72 GPR119 (0.43) GSK3BDYRK1ASMN1; SMN2GRNSORT1
SCHEMBL16326290 0.71 CTSK (0.42) TDP1ALDH1A1L3MBTL1MEN1MAPT
SCHEMBL25375678 0.71 CTSK (0.38) AAK1TDP1ALDH1A1MEN1KMT2A
SCHEMBL25375682 0.71 CTSK (0.38) AAK1TDP1ALDH1A1MEN1KMT2A
SCHEMBL20267444 0.69 LMNA (0.50) SMN1; SMN2GRNSORT1CYP2D6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4484426-A1 PYRIMIDO AROMATIC RING COMPOUND AND USE THEREOF IN DRUG Sunshine Lake Pharma Co., Ltd. (CN) 2025-01-01 — — EP disclosed
CN-116693527-A Pyrimido aromatic ring compounds and application thereof in medicines 广东东阳光药业股份有限公司 2023-09-05 — — CN disclosed
WO-2023160527-A1 PYRIMIDO AROMATIC RING COMPOUND AND USE THEREOF IN DRUG 广东东阳光药业股份有限公司 2023-08-31 — — WO disclosed
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