SCHEMBL22909211

SCHEMBL22909211

CCc1cn(CCCNC(C)=O)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 13/20 0.42
GLS O94925 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
EPHX2 P34913 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL17625567 0.91 MAPK1 (0.39) GBA1MAPK1
SCHEMBL22856280 0.86 GBA1 (0.43) GBA1GLSHDAC3HDAC4HDAC1
SCHEMBL26280014 0.86 GBA1 (0.42) GBA1GLSHDAC3HDAC4HDAC1
SCHEMBL23568244 0.85 GBA1 (0.45) GBA1GLSEPHX2HDAC1
SCHEMBL18000338 0.85 ZDHHC20 (0.44) GBA1EPHX2
SCHEMBL2358722 0.82 GBA1 (0.38) GBA1MTNR1AMTNR1B
SCHEMBL26226174 0.82 GBA1 (0.46) GBA1GLSEPHX2
SCHEMBL23602185 0.82 ADRB2 (0.42) GBA1GLSHDAC3HDAC4HDAC1
SCHEMBL17320678 0.82 MAPK1 (0.41) GLSKDM4EMAPK1HIF1AMTNR1A
SCHEMBL22525951 0.82 GBA1 (0.45) GBA1GLSEPHX2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
WO-2021231778-A1 CORONAVIRUS PROTEASE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-11-18 WO disclosed
WO-2021188948-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
WO-2021011871-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed