SCHEMBL31334579

SCHEMBL31334579

COC(=O)[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(C4COC4)c3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.42
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
CDK2 P24941 2/20 0.38
CCNA2 P20248 1/20 0.38
MAPK3 P27361 1/20 0.38
RAF1 P04049 4/20 0.38
BRAF P15056 3/20 0.38
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
ADORA1 P30542 2/20 0.36
PDE4A P27815 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
SCHEMBL31334206 0.91 IRAK1 (0.43) MAPK1CDK2CCNA2MAPK3RAF1
SCHEMBL31334468 0.90 CSNK2A2 (0.41) MAPK1CDK2CCNA2MAPK3RAF1
SCHEMBL31334149 0.89 MAPK1 (0.40) MAPK1CDK2CCNA2MAPK3RAF1
SCHEMBL31334493 0.87 MAPK8 (0.43) MAPK1CDK2CCNA2MAPK3RAF1
SCHEMBL31335060 0.84 MAPK1 (0.45) MAPK1CDK2CCNA2MAPK3CCNB2
SCHEMBL31334005 0.84 MAPK1 (0.47) MAPK1CDK2CCNA2MAPK3CCNB2
SCHEMBL31334522 0.82 CTSA (0.41) MAPK1PDGFRBPDGFRACDK2CCNA2
SCHEMBL31334731 0.82 MAPK3 (0.41) MAPK1CDK2CCNA2MAPK3RAF1
SCHEMBL31333233 0.82 NPC1 (0.43) MAPK1CDK2CCNA2MAPK3CCNB2
SCHEMBL31333197 0.81 MAPK3 (0.41) MAPK1CDK2CCNA2MAPK3BRAF

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