SCHEMBL30730035

SCHEMBL30730035

CC(C(=O)NN)c1cccc(C2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.46
DRD2 P14416 10/20 0.46
DRD4 P21917 10/20 0.46
KCNH2 Q12809 3/20 0.46
CNR2 P34972 1/20 0.45
IRAK4 Q9NWZ3 5/20 0.40
CHRNA7 P36544 1/20 0.40
POLB P06746 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL30730146 0.79 HTR1A (0.45) HTR1ADRD2DRD4KCNH2CNR2
SCHEMBL23006094 0.78 HTR1A (0.44) HTR1ADRD2DRD4KCNH2CNR2
SCHEMBL27393779 0.75 HTR1A (0.42) HTR1ADRD2DRD4KCNH2CNR2
SCHEMBL27393509 0.75 HTR1A (0.42) HTR1ADRD2DRD4KCNH2CNR2
SCHEMBL27283960 0.75 HTR1A (0.44) HTR1ADRD2DRD4KCNH2CNR2
SCHEMBL27393504 0.74 HTR1A (0.43) HTR1ADRD2DRD4KCNH2CNR2
SCHEMBL27266356 0.73 HTR1A (0.41) HTR1ADRD2DRD4KCNH2CNR2
SCHEMBL27283961 0.72 HTR1A (0.44) HTR1ADRD2DRD4KCNH2CNR2
SCHEMBL30730115 0.72 CNR2 (0.46) HTR1ADRD2DRD4KCNH2CNR2
SCHEMBL2540851 0.72 HTR1A (0.43) HTR1ADRD2DRD4KCNH2CNR2

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
EP-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed