SCHEMBL23633009

SCHEMBL23633009

C[C@@H]1CN(CC#N)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
EBP Q15125 2/20 0.44
PDK1 Q15118 1/20 0.38
KDM4E B2RXH2 5/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CYP2A13 Q16696 1/20 0.35
MAPK8 P45983 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL24951989 1.00 SIGMAR1 (0.44) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL23638497 1.00 SIGMAR1 (0.44) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL9432796 0.78 SIGMAR1 (0.50) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL12059653 0.78
SCHEMBL7519293 0.77 SIGMAR1 (0.44) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL5805370 0.77 SIGMAR1 (0.44) SIGMAR1EBPPDK1KDM4EHTT
SCHEMBL24951986 0.75 PDK1 (0.41) PDK1
SCHEMBL26820367 0.75 PDK1 (0.41) PDK1
SCHEMBL24951152 0.74 HRH3 (0.39) KDM4EALDH1A1LMNA
SCHEMBL6133223 0.74 SIGMAR1 (0.41) SIGMAR1EBPPDK1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901664-B Pyridone compounds and uses thereof 南京再明医药有限公司 2024-07-02 CN disclosed
EP-4376845-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS Actelion Pharmaceuticals Ltd (CH) 2024-06-05 EP disclosed
WO-2023007009-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-02-02 WO disclosed
WO-2023007009-A1 PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2023-02-02 WO disclosed
CN-114901664-A Pyridone compound and application thereof 江苏先声药业有限公司 2022-08-12 CN disclosed
WO-2021139775-A1 PYRIDONE COMPOUND AND APPLICATION 江苏先声药业有限公司 2021-07-15 WO disclosed