SCHEMBL31334530

SCHEMBL31334530

O=C(O)[C@H]1CCC[C@@H](Nc2ncc(F)c(-c3cccc(N4CCOCC4=O)n3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 2/20 0.39
MAPK3 P27361 3/20 0.38
PTGS2 P35354 1/20 0.37
MAPK1 P28482 9/20 0.37
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
MAPK14 Q16539 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
NTRK1 P04629 1/20 0.33
EGFR P00533 1/20 0.33
BTK Q06187 1/20 0.33

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
SCHEMBL31333886 1.00 MAP4K1 (0.39) MAP4K1MAPK3PTGS2MAPK1JAK2
SCHEMBL31334776 0.93 MAP4K1 (0.39) MAP4K1MAPK3PTGS2MAPK1JAK2
SCHEMBL31334500 0.91 MAP4K1 (0.41) MAP4K1MAPK3PTGS2MAPK1JAK2
SCHEMBL31334437 0.89 MAPK1 (0.43) MAP4K1PTGS2MAPK1RAF1BRAF
SCHEMBL31333258 0.87 RAF1 (0.41) MAPK3PTGS2MAPK1JAK2RAF1
SCHEMBL31334100 0.85 MAP4K1 (0.42) MAP4K1MAPK3PTGS2MAPK1JAK2
SCHEMBL31334176 0.85 MAP4K1 (0.40) MAP4K1MAPK3PTGS2MAPK1JAK2
SCHEMBL31334585 0.83 MAP4K1 (0.42) MAP4K1MAPK1JAK2MAPK14CDK2
SCHEMBL31334841 0.83 CDK2 (0.42) MAP4K1MAPK3MAPK1MAPK14CCNA2
SCHEMBL31333754 0.83 CDK9 (0.42) MAP4K1PTGS2MAPK1MAPK14CDK2

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