SCHEMBL31334063

SCHEMBL31334063

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.46
ADORA2A P29274 2/20 0.46
MAPK1 P28482 10/20 0.45
HDAC1 Q13547 1/20 0.44
RORC P51449 1/20 0.43
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
MAPK14 Q16539 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

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
SCHEMBL31334809 1.00 ADORA1 (0.46) ADORA1ADORA2AMAPK1HDAC1RORC
SCHEMBL31335004 0.90 MAPK3 (0.51) ADORA1ADORA2AMAPK1HDAC1ADRA2A
SCHEMBL31334715 0.90 MAPK3 (0.51) ADORA1ADORA2AMAPK1HDAC1ADRA2A
SCHEMBL31335055 0.88 MAPK3 (0.52) ADORA1MAPK1CCNE1CDK2
SCHEMBL31334671 0.88 MAPK3 (0.52) ADORA1MAPK1CCNE1CDK2
SCHEMBL31334077 0.88 MAPK1 (0.45) ADORA1ADORA2AMAPK1HDAC1ADRA2A
SCHEMBL31333299 0.83 ADORA1 (0.53) ADORA1ADORA2AMAPK1RORCADORA2B
SCHEMBL31334419 0.83 ADORA1 (0.53) ADORA1ADORA2AMAPK1RORCADORA2B
SCHEMBL5378804 0.82 CSNK2A2 (0.54) ADORA1ADORA2AMAPK1CCNB2CCNE2
SCHEMBL31333335 0.81 CDK2 (0.56) MAPK1MAPK14CCNB2CCNE2CDK1

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