SCHEMBL31334522

SCHEMBL31334522

COC(=O)[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(C4(O)COC4)c3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 3/20 0.41
MAPK1 P28482 8/20 0.41
CDK2 P24941 2/20 0.38
CCNA2 P20248 1/20 0.38
MAPK3 P27361 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
ADORA1 P30542 3/20 0.37
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
BRAF P15056 1/20 0.35
PDE4A P27815 1/20 0.35

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
SCHEMBL31334409 0.91 IRAK1 (0.42) CTSAMAPK1CDK2CCNA2MAPK3
SCHEMBL31334596 0.90 ADORA1 (0.41) CTSAMAPK1CDK2CCNA2MAPK3
SCHEMBL31333196 0.90 MAPK3 (0.42) CTSAMAPK1CDK2CCNA2MAPK3
SCHEMBL31333489 0.88 MAPK8 (0.44) CTSAMAPK1CDK2CCNA2MAPK3
SCHEMBL31333640 0.84 MAPK1 (0.44) MAPK1CDK2CCNA2MAPK3CCNB2
SCHEMBL31334884 0.83 MAPK3 (0.43) CTSAMAPK1CDK2CCNA2MAPK3
SCHEMBL31334579 0.82 MAPK1 (0.42) MAPK1CDK2CCNA2MAPK3PDGFRB
SCHEMBL31334606 0.82 MAPK3 (0.40) CTSAMAPK1CDK2CCNA2MAPK3
SCHEMBL31333579 0.79 PDGFRB (0.41) MAPK1CDK2CCNA2MAPK3PDGFRB
SCHEMBL31334019 0.78 MAPK1 (0.38) MAPK1CDK2CCNA2MAPK3PDGFRB

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