SCHEMBL31334890

SCHEMBL31334890

O=C(O)C1CCC(Nc2ncc(F)c(-c3cccc(-c4ccccc4)c3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.47
IRAK4 Q9NWZ3 1/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
ADORA2A P29274 4/20 0.46
ADORA2B P29275 1/20 0.46
MAPK1 P28482 4/20 0.42
VCP P55072 5/20 0.42
CDK2 P24941 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL31333367 1.00 ADORA1 (0.47) ADORA1IRAK4CSNK2A2CSNK2BADORA2A
SCHEMBL31334719 1.00 ADORA1 (0.47) ADORA1IRAK4CSNK2A2CSNK2BADORA2A
SCHEMBL31333834 0.91 ADORA1 (0.46) ADORA1CSNK2A2CSNK2BADORA2AADORA2B
SCHEMBL31333233 0.89 NPC1 (0.43) ADORA1IRAK4CSNK2A2CSNK2BADORA2A
SCHEMBL31333585 0.89 ADORA1 (0.41) ADORA1IRAK4CSNK2A2CSNK2BADORA2A
SCHEMBL31334123 0.88 MAPK3 (0.47) ADORA1CSNK2A2CSNK2BADORA2AADORA2B
SCHEMBL31333320 0.87 ADORA1 (0.61) ADORA1CSNK2A2CSNK2BADORA2AADORA2B
SCHEMBL31334200 0.87 ADORA1 (0.61) ADORA1CSNK2A2CSNK2BADORA2AADORA2B
SCHEMBL31333452 0.87 MAPK8 (0.50) ADORA1CSNK2A2CSNK2BADORA2AADORA2B
SCHEMBL31333299 0.87 ADORA1 (0.53) ADORA1IRAK4CSNK2A2CSNK2BADORA2A

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-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed