SCHEMBL31333742

SCHEMBL31333742

O=C(CBr)N[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(N4CCCOC4=O)c3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 20/20 0.41
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
MAPK3 P27361 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
SCHEMBL31333419 0.95 MAPK1 (0.42) MAPK1CCNA2CDK2MAPK3
SCHEMBL31334262 0.90 MAPK1 (0.41) MAPK1CCNA2CDK2MAPK3
SCHEMBL31333762 0.89 MAPK1 (0.44) MAPK1CCNA2CDK2MAPK3
SCHEMBL31334717 0.88 ADORA1 (0.43) MAPK1CCNA2CDK2MAPK3
SCHEMBL31333709 0.88 LMNA (0.42) MAPK1CCNA2CDK2MAPK3
SCHEMBL31333597 0.87 MAPK1 (0.41) MAPK1CCNA2CDK2MAPK3
SCHEMBL31334975 0.87 MAPK1 (0.41) MAPK1CCNA2CDK2MAPK3
SCHEMBL31334417 0.87 MAPK1 (0.41) MAPK1CCNA2CDK2MAPK3
SCHEMBL31333290 0.86 CDK9 (0.41) MAPK1CCNA2CDK2MAPK3
SCHEMBL31333298 0.86 MAPK1 (0.47) MAPK1CCNA2CDK2MAPK3

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