SCHEMBL31333835

SCHEMBL31333835

COC(=O)c1cccc(-c2nc(N[C@H]3CC[C@H](NC(C)=O)CC3)ncc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.44
ADRA2A P08913 3/20 0.44
HRH1 P35367 3/20 0.44
HTR2B P41595 3/20 0.44
ADRA1A P35348 2/20 0.44
MAPK8 P45983 3/20 0.42
MAPK14 Q16539 1/20 0.42
ADORA1 P30542 2/20 0.41
CDK8 P49336 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK9 P45984 2/20 0.40
MAPK10 P53779 2/20 0.40
CCNE1 P24864 2/20 0.39
CDK2 P24941 2/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 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
SCHEMBL31334517 0.90 CSNK2A2 (0.49) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL31334084 0.88 MAPK1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL31333452 0.87 MAPK8 (0.50) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL31334873 0.87 CDK2 (0.47) MAPK14MAPK1CCNE1CDK2CCNB2
SCHEMBL31333311 0.84 MAPK1 (0.46) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL31334783 0.84 MAPK8 (0.45) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL31334177 0.83 MAPK8 (0.44) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL31334973 0.82 MAPK8 (0.41) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL31334673 0.81 MAPK8 (0.40) MCHR1ADRA2AHRH1HTR2BADRA1A
SCHEMBL31334493 0.81 MAPK8 (0.43) MCHR1ADRA2AHRH1HTR2BADRA1A

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