SCHEMBL31334239

SCHEMBL31334239

CC(C)(C)OC(=O)[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(N4CCOCC4=O)n3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.46
MAP4K1 Q92918 2/20 0.41
CDK2 P24941 4/20 0.36
CDK1 P06493 3/20 0.36
CDK4 P11802 3/20 0.36
CCND1 P24385 3/20 0.36
CCNE1 P24864 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
MAPK14 Q16539 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL31333753 1.00 MAPK1 (0.46) MAPK1MAP4K1CDK2CDK1CDK4
SCHEMBL31334437 0.92 MAPK1 (0.43) MAPK1MAP4K1RAF1BRAFMAPK14
SCHEMBL31334574 0.91 MAPK1 (0.46) MAPK1MAP4K1CDK2CDK1CDK4
SCHEMBL31334500 0.88 MAP4K1 (0.41) MAPK1MAP4K1CDK2CDK1CDK4
SCHEMBL31334003 0.88 MAPK1 (0.49) MAPK1CDK2CDK1CDK4CCND1
SCHEMBL31334036 0.88 MAPK1 (0.43) MAPK1CDK2CDK1CDK4CCND1
SCHEMBL31334176 0.87 MAP4K1 (0.40) MAPK1MAP4K1CDK2CDK1CDK4
SCHEMBL31333370 0.86 MAPK1 (0.49) MAPK1MAP4K1CDK2CDK4CCND1
SCHEMBL31334585 0.86 MAP4K1 (0.42) MAPK1MAP4K1CDK2CDK1CDK4
SCHEMBL31333754 0.84 CDK9 (0.42) MAPK1MAP4K1CDK2CDK1CDK4

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