SCHEMBL31334432

SCHEMBL31334432

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.41
CDK2 P24941 6/20 0.38
CCNA2 P20248 1/20 0.38
MAPK3 P27361 1/20 0.38
ADORA2A P29274 5/20 0.38
ADORA1 P30542 4/20 0.37
CDK1 P06493 5/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 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
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
JUN P05412 1/20 0.36
MAPK10 P53779 1/20 0.36
DYRK2 Q92630 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
SCHEMBL31333553 0.95 MAPK1 (0.42) MAPK1CDK2CCNA2MAPK3ADORA2A
SCHEMBL31333650 0.92 IRAK1 (0.41) MAPK1CDK2CCNA2MAPK3ADORA2A
SCHEMBL31333597 0.91 MAPK1 (0.41) MAPK1CDK2CCNA2MAPK3ADORA1
SCHEMBL31334975 0.91 MAPK1 (0.41) MAPK1CDK2CCNA2MAPK3CDK1
SCHEMBL31334417 0.91 MAPK1 (0.41) MAPK1CDK2CCNA2MAPK3CDK1
SCHEMBL31335093 0.89 MAPK10 (0.44) MAPK1CDK2CCNA2MAPK3CCNE1
SCHEMBL31334262 0.89 MAPK1 (0.41) MAPK1CDK2CCNA2MAPK3CDK1
SCHEMBL31334717 0.89 ADORA1 (0.43) MAPK1CDK2CCNA2MAPK3ADORA2A
SCHEMBL31334318 0.88 SYK (0.45) MAPK1CDK2ADORA2AADORA1CDK1
SCHEMBL31333290 0.87 CDK9 (0.41) MAPK1CDK2CCNA2MAPK3CDK1

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