SCHEMBL31333968

SCHEMBL31333968

COC(=O)[C@H]1CC[C@H](Nc2ncc(F)c(-c3cccc(N4CCC(O)CC4)c3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.41
CDK2 P24941 5/20 0.40
CDK4 P11802 3/20 0.40
CDK6 Q00534 3/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CCNB2 O95067 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
CCNA2 P20248 3/20 0.40
CDK9 P50750 3/20 0.40
CCNK O75909 1/20 0.40
CSF1R P07333 1/20 0.40
ADORA2A P29274 3/20 0.40
ADORA2B P29275 1/20 0.40
MAPK1 P28482 2/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL31333524 0.92 SYK (0.42) ADORA1CDK2CDK4CDK1CCNB1
SCHEMBL31334207 0.90 ADORA1 (0.45) ADORA1CDK2CDK4CDK6CDK1
SCHEMBL31335015 0.90 SYK (0.44) ADORA1CDK2CDK4CDK6CDK1
SCHEMBL31334021 0.88 CKS1B (0.44) ADORA1CDK2CDK4CDK6CDK1
SCHEMBL31334535 0.86 IRAK1 (0.45) ADORA1CDK2CDK4CDK6CDK1
SCHEMBL31334805 0.86 CDK2 (0.49) CDK2CDK4CDK6CDK1CCNB1
SCHEMBL31334318 0.84 SYK (0.45) ADORA1CDK2CDK4CDK1CCNB1
SCHEMBL31334507 0.84 SYK (0.43) ADORA1CDK2CDK1CCNB1CCNB2
SCHEMBL31334263 0.84 SYK (0.43) ADORA1CDK2CDK1CCNB1CCNB2
SCHEMBL31334031 0.84 MAPK8 (0.49) ADORA1CDK2CDK4CDK6CDK1

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