SCHEMBL31333769

SCHEMBL31333769

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.44
ROCK1 Q13464 6/20 0.44
MAPK3 P27361 2/20 0.42
MAPK1 P28482 10/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 2/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL31333369 0.93 MAPK3 (0.44) ROCK2ROCK1MAPK3MAPK1CCNA2
SCHEMBL31333935 0.91 ROCK2 (0.43) ROCK2ROCK1MAPK3MAPK1CCNA2
SCHEMBL31334078 0.91 ROCK2 (0.43) ROCK2ROCK1MAPK3MAPK1CCNA2
SCHEMBL31334678 0.90 SYK (0.48) ROCK2ROCK1MAPK3MAPK1CDK7
SCHEMBL31333461 0.83 SYK (0.48) ROCK2ROCK1MAPK3MAPK1CCNA2
SCHEMBL31333360 0.82 MAPK3 (0.48) ROCK2ROCK1MAPK3MAPK1CDK7
SCHEMBL31334355 0.82 MAPK3 (0.52) MAPK3MAPK1CDK7
SCHEMBL31334379 0.80 MAPK3 (0.49) MAPK3MAPK1CDK2CDK7
SCHEMBL31335042 0.80 MAPK3 (0.49) MAPK3MAPK1CDK2CDK7
SCHEMBL31334882 0.80 SYK (0.43) ROCK2ROCK1MAPK3MAPK1SYK

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