SCHEMBL31334596

SCHEMBL31334596

O=C(O)[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(C4(O)COC4)c3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.41
CTSA P10619 2/20 0.40
ADORA2A P29274 3/20 0.39
ADORA2B P29275 1/20 0.39
MAPK1 P28482 7/20 0.39
CDK2 P24941 2/20 0.39
CCNA2 P20248 1/20 0.39
MAPK3 P27361 1/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
DYRK2 Q92630 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 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
SCHEMBL31333196 0.92 MAPK3 (0.42) ADORA1CTSAADORA2AADORA2BMAPK1
SCHEMBL31334522 0.90 CTSA (0.41) ADORA1CTSAADORA2AADORA2BMAPK1
SCHEMBL31334884 0.90 MAPK3 (0.43) ADORA1CTSAADORA2AADORA2BMAPK1
SCHEMBL31333489 0.88 MAPK8 (0.44) ADORA1CTSAADORA2AADORA2BMAPK1
SCHEMBL31333640 0.85 MAPK1 (0.44) MAPK1CDK2CCNA2MAPK3DYRK2
SCHEMBL31334719 0.84 ADORA1 (0.47) ADORA1ADORA2AADORA2BMAPK1CDK2
SCHEMBL31334890 0.84 ADORA1 (0.47) ADORA1ADORA2AADORA2BMAPK1CDK2
SCHEMBL31333367 0.84 ADORA1 (0.47) ADORA1ADORA2AADORA2BMAPK1CDK2
SCHEMBL31334606 0.84 MAPK3 (0.40) ADORA1CTSAMAPK1CDK2CCNA2
SCHEMBL31334409 0.83 IRAK1 (0.42) ADORA1CTSAMAPK1CDK2CCNA2

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