SCHEMBL31333419

SCHEMBL31333419

O=C(CBr)N[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(N4CCOC4=O)c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 19/20 0.42
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK3 P27361 1/20 0.40
IDH1 O75874 1/20 0.36

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
SCHEMBL31333742 0.95 MAPK1 (0.41) MAPK1CCNA2CDK2MAPK3
SCHEMBL31334173 0.90 MAPK1 (0.42) MAPK1CCNA2CDK2MAPK3IDH1
SCHEMBL31334037 0.89 MAPK1 (0.45) MAPK1CCNA2CDK2MAPK3
SCHEMBL31333839 0.87 MAPK1 (0.42) MAPK1CCNA2CDK2MAPK3IDH1
SCHEMBL31334703 0.86 MAPK1 (0.42) MAPK1CCNA2CDK2MAPK3IDH1
SCHEMBL31334455 0.86 CDK9 (0.42) MAPK1CCNA2CDK2MAPK3IDH1
SCHEMBL31334329 0.86 CDK9 (0.42) MAPK1CCNA2CDK2MAPK3IDH1
SCHEMBL31333553 0.85 MAPK1 (0.42) MAPK1CCNA2CDK2MAPK3IDH1
SCHEMBL31334262 0.85 MAPK1 (0.41) MAPK1CCNA2CDK2MAPK3
SCHEMBL31334897 0.84 CDK6 (0.42) MAPK1CCNA2CDK2MAPK3IDH1

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