SCHEMBL31333233

SCHEMBL31333233

O=C(O)[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(C4CC4)c3)n2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA1 P30542 5/20 0.43
PDE4D Q08499 4/20 0.43
ADORA2A P29274 3/20 0.43
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
CSNK2A2 P19784 2/20 0.43
CSNK2B P67870 2/20 0.43
ADORA2B P29275 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.40
MAPT P10636 1/20 0.40
CDK2 P24941 2/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL31334468 0.92 CSNK2A2 (0.41) ADORA1PDE4DADORA2APDE4APDE4B
SCHEMBL31333197 0.91 MAPK3 (0.41) ADORA1PDE4DADORA2APDE4APDE4B
SCHEMBL31333367 0.89 ADORA1 (0.47) ADORA1PDE4DADORA2APDE4APDE4B
SCHEMBL31334890 0.89 ADORA1 (0.47) ADORA1PDE4DADORA2APDE4APDE4B
SCHEMBL31334719 0.89 ADORA1 (0.47) ADORA1PDE4DADORA2APDE4APDE4B
SCHEMBL31333828 0.87 MAPK3 (0.43) ADORA1PDE4DADORA2APDE4APDE4B
SCHEMBL31333561 0.87 MAPK3 (0.43) ADORA1PDE4DADORA2APDE4APDE4B
SCHEMBL31334783 0.87 MAPK8 (0.45) ADORA1ADORA2ACSNK2A2CSNK2BCDK2
SCHEMBL31333951 0.85 ADORA1 (0.41) ADORA1ADORA2ACSNK2A2CSNK2BADORA2B
SCHEMBL31333944 0.85 ADORA1 (0.49) ADORA1ADORA2AADORA2BCDK2CCNB2

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