SCHEMBL31333935

SCHEMBL31333935

COC(=O)[C@@H]1CCC[C@H](Nc2ncc(Cl)c(-c3cccc(-n4ccc(F)cc4=O)c3)n2)C1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
IRAK1 P51617 1/20 0.41
MAPK1 P28482 16/20 0.40
MAPK3 P27361 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 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
SCHEMBL31334078 1.00 ROCK2 (0.43) ROCK2ROCK1IRAK1MAPK1MAPK3
SCHEMBL31333369 0.91 MAPK3 (0.44) ROCK2ROCK1MAPK1MAPK3CCNA2
SCHEMBL31333769 0.91 ROCK2 (0.44) ROCK2ROCK1MAPK1MAPK3CCNA2
SCHEMBL31334882 0.90 SYK (0.43) ROCK2ROCK1IRAK1MAPK1MAPK3
SCHEMBL31333670 0.90 SYK (0.43) ROCK2ROCK1IRAK1MAPK1MAPK3
SCHEMBL31334293 0.84 IRAK1 (0.50) IRAK1MAPK1MAPK3CDK2
SCHEMBL31333260 0.83 SYK (0.43) ROCK2ROCK1IRAK1MAPK1MAPK3
SCHEMBL31333360 0.81 MAPK3 (0.48) ROCK2ROCK1MAPK1MAPK3
SCHEMBL31333357 0.81 MAPK3 (0.44) IRAK1MAPK1MAPK3CDK2
SCHEMBL31334678 0.80 SYK (0.48) ROCK2ROCK1MAPK1MAPK3

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