SCHEMBL28958012

SCHEMBL28958012

Nc1ccc(N2CCC(C3OCCO3)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 6/20 0.41
PLK4 O00444 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 3/20 0.36
S100B P04271 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RECQL P46063 1/20 0.35
PTK2B Q14289 1/20 0.35
IDO1 P14902 3/20 0.34
TDO2 P48775 3/20 0.34

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
SCHEMBL17264103 0.86 MAPT (0.43) LGMNPLK4MAPTALDH1A1GAA
SCHEMBL28958040 0.79 IP6K1 (0.39) MAPTIP6K1
SCHEMBL25174002 0.79 MAPT (0.47) LGMNPLK4MAPTALDH1A1GAA
SCHEMBL30392315 0.78 ADRA2C (0.50) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL26097564 0.78 ADRA2C (0.50) MAPTALDH1A1MAPK1LMNATDP1
SCHEMBL17265646 0.78 MAPT (0.52) LGMNMAPTALDH1A1GAAMAPK1
SCHEMBL25187761 0.78 MAPT (0.47) MAPTALDH1A1MAPK1HTTLMNA
SCHEMBL520439 0.77 LGMN (0.67) LGMNPLK4MAPTALDH1A1GAA
SCHEMBL25427043 0.77 MAOA (0.35) ALDH1A1IDO1TDO2SIGMAR1
SCHEMBL12005544 0.75 C1S (0.47) MAPTALDH1A1MAPK1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118598858-A Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2024-09-06 CN disclosed
CN-115557933-B Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2024-08-16 CN disclosed
CN-116143757-B Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2024-07-05 CN disclosed
WO-2023088477-A1 MULTIFUNCTIONAL COMPOUND CAPABLE OF DEGRADING BTK KINASE, AND COMPOSITION AND USE 杭州和正医药有限公司 2023-05-25 WO disclosed
CN-116143757-A Multifunctional compound, composition and application of degradable BTK kinase 杭州和正医药有限公司 2023-05-23 CN disclosed
WO-2023274390-A1 BRUTON'S TYROSINE KINASE AND MUTANT DEGRADER, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2023-01-05 WO disclosed
CN-115557933-A Bruton tyrosine kinase and mutant degradation agent, composition and application thereof 杭州和正医药有限公司 2023-01-03 CN disclosed