SCHEMBL31333858

SCHEMBL31333858

O=C(O)[C@@H]1CCC[C@H](Nc2ncc(F)c(-c3cccc(-n4cc(C(F)(F)F)ccc4=O)c3)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 3/20 0.41
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 1/20 0.38
PDE4A P27815 5/20 0.37
PDE4B Q07343 5/20 0.37
PDE4C Q08493 5/20 0.37
PDE4D Q08499 5/20 0.37
ROCK2 O75116 6/20 0.37
ROCK1 Q13464 6/20 0.37
FGFR3 P22607 1/20 0.36
SYK P43405 1/20 0.36
MAPK1 P28482 3/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL31333877 0.93 CDK2 (0.40) MAPK3CCNA2CDK2CCNA1ROCK2
SCHEMBL31333236 0.91 SYK (0.38) MAPK3CCNA2CDK2CCNA1PDE4A
SCHEMBL31334697 0.90 MAPK1 (0.41) MAPK3CCNA2CDK2CCNA1ROCK2
SCHEMBL31334914 0.89 ROCK2 (0.45) MAPK3CCNA2CDK2CCNA1PDE4A
SCHEMBL31333264 0.87 SYK (0.46) MAPK3CCNA2CDK2CCNA1PDE4A
SCHEMBL31333683 0.87 SYK (0.46) MAPK3CCNA2CDK2CCNA1PDE4A
SCHEMBL31333586 0.87 SYK (0.46) MAPK3CCNA2CDK2CCNA1PDE4A
SCHEMBL31334506 0.86 MAPK3 (0.40) MAPK3CCNA2CDK2CCNA1SYK
SCHEMBL31334023 0.85 MAPK1 (0.39) MAPK3CCNA2CDK2CCNA1SYK
SCHEMBL31334568 0.84 KDM1A (0.39) MAPK3CCNA2CDK2PDE4APDE4B

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