SCHEMBL30730299

SCHEMBL30730299

COc1ccc(C2CCOCC2)nc1CC(=O)NN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
TGFBR1 P36897 1/20 0.36
ADORA2A P29274 1/20 0.36
PDE4D Q08499 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
F2 P00734 2/20 0.35
CNR2 P34972 2/20 0.35
CTSD P07339 2/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35
PLAT P00750 1/20 0.35
KLK1 P06870 1/20 0.35
PRSS1 P07477 1/20 0.35
LRRK2 Q5S007 2/20 0.34
CTSK P43235 1/20 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
SCHEMBL30730401 0.87 HTR1A (0.40) HTR1ADRD2DRD4IRAK4TGFBR1
SCHEMBL30730264 0.82 TRPV3 (0.40) HTR1ADRD2DRD4CNR2
SCHEMBL27396457 0.79 CACNA1B (0.37) HTR1ADRD2DRD4PDE4DPDE4B
SCHEMBL27326665 0.74 CNR2 (0.46) HTR1ADRD2DRD4CNR2
SCHEMBL30730115 0.74 CNR2 (0.46) HTR1ADRD2DRD4CNR2
SCHEMBL27314506 0.74 LRRK2 (0.34) HTR1ADRD2DRD4F2PLG
SCHEMBL27316765 0.71 CACNA1B (0.39) HTR1ADRD2DRD4IRAK4TGFBR1
SCHEMBL27394813 0.70 LRRK2 (0.34) HTR1ADRD2DRD4F2PLG
SCHEMBL30730250 0.66 TRPV3 (0.38) IRAK4
SCHEMBL27938280 0.66 KDM4E (0.42) ADORA2APDE4DPDE4BPDE4APDE4C

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