SCHEMBL31334213

SCHEMBL31334213

O=C1OCCCN1c1cc(-c2nc(N[C@H]3CC[C@H](C(=O)O)CC3)ncc2F)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.40
CDK2 P24941 5/20 0.39
CCNA2 P20248 2/20 0.39
MAPK3 P27361 2/20 0.39
DYRK2 Q92630 3/20 0.37
CDK1 P06493 2/20 0.37
CCNE1 P24864 2/20 0.37
CCNB2 O95067 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNB1 P14635 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
IDH1 O75874 1/20 0.35
MAP4K1 Q92918 1/20 0.35
CCND1 P24385 2/20 0.34
CDK4 P11802 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL31333500 1.00 MAPK1 (0.40) MAPK1CDK2CCNA2MAPK3DYRK2
SCHEMBL31333578 0.95 MAPK1 (0.41) MAPK1CDK2CCNA2MAPK3DYRK2
SCHEMBL31334147 0.93 MAPK1 (0.39) MAPK1CDK2CCNA2MAPK3DYRK2
SCHEMBL31335024 0.93 MAPK1 (0.39) MAPK1CDK2CCNA2MAPK3DYRK2
SCHEMBL31333326 0.91 MAPK1 (0.41) MAPK1CDK2CCNA2MAPK3DYRK2
SCHEMBL31334974 0.89 MAPK1 (0.41) MAPK1CDK2CCNA2MAPK3DYRK2
SCHEMBL31333582 0.89 CDK7 (0.41) MAPK1CDK2CCNA2MAPK3CDK1
SCHEMBL31334772 0.88 MAP4K1 (0.40) MAPK1CDK2CCNA2MAPK3DYRK2
SCHEMBL31334271 0.87 ADORA2A (0.40) MAPK1CDK2CCNA2MAPK3DYRK2
SCHEMBL31333241 0.87 ADORA2A (0.40) MAPK1CDK2CCNA2MAPK3DYRK2

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