SCHEMBL31334077

SCHEMBL31334077

COC(=O)[C@H]1CC[C@@H](Nc2ncc(Cl)c(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 14/20 0.45
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
MCHR1 Q99705 1/20 0.42
CCNB2 O95067 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
HDAC1 Q13547 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL31333357 0.89 MAPK3 (0.44) MAPK1CDK1CCNE1CDK2
SCHEMBL31334063 0.88 ADORA1 (0.46) MAPK1ADRA2AADRA1AHRH1HTR2B
SCHEMBL31334809 0.88 ADORA1 (0.46) MAPK1ADRA2AADRA1AHRH1HTR2B
SCHEMBL31334715 0.87 MAPK3 (0.51) MAPK1ADRA2AADRA1AHRH1HTR2B
SCHEMBL31335004 0.87 MAPK3 (0.51) MAPK1ADRA2AADRA1AHRH1HTR2B
SCHEMBL31333957 0.83 ADORA1 (0.49) MAPK1ADORA2AADORA1
SCHEMBL31333929 0.83 ADORA1 (0.49) MAPK1ADORA2AADORA1
SCHEMBL31334293 0.82 IRAK1 (0.50) MAPK1CDK1CDK2
SCHEMBL5378885 0.81 MAPK1 (0.49) MAPK1ADRA2AHRH1HTR2BMCHR1
SCHEMBL31333335 0.81 CDK2 (0.56) MAPK1CCNB2CCNE2CDK1CCNB1

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