SCHEMBL31076362

SCHEMBL31076362

COC(=O)C1CN(c2ccc(CC3CN(C(=O)OC(C)(C)C)CCO3)cc2Cl)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.44
ERBB2 P04626 1/20 0.44
EPHB4 P54760 1/20 0.44
MAPK8 P45983 1/20 0.40
USP30 Q70CQ3 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
TP53 P04637 1/20 0.37
STS P08842 2/20 0.36
RET P07949 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL31076391 0.94 EPHA2 (0.45) EPHA2ERBB2EPHB4MAPK8USP30
SCHEMBL31076348 0.88 SMN1; SMN2 (0.44) EPHA2ERBB2EPHB4USP30TP53
SCHEMBL31076336 0.87 EPHA2 (0.44) EPHA2ERBB2EPHB4MAPK8USP30
SCHEMBL31076333 0.87 EPHA2 (0.41) EPHA2ERBB2EPHB4MAPK8USP30
SCHEMBL31076433 0.84 EPHA2 (0.42) EPHA2ERBB2EPHB4MAPK8USP30
SCHEMBL31076430 0.84 EPHA2 (0.44) EPHA2ERBB2EPHB4MAPK8USP30
SCHEMBL31076359 0.83 EPHA2 (0.51) EPHA2ERBB2EPHB4PDE4B
SCHEMBL1551919 0.83 EPHA2 (0.44) EPHA2ERBB2EPHB4USP30PARP1
SCHEMBL1552945 0.83 EPHA2 (0.44) EPHA2ERBB2EPHB4USP30PARP1
SCHEMBL31076483 0.83 EPHA2 (0.44) EPHA2ERBB2EPHB4USP30PARP1

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-4642778-A1 LSD1 MODULATORS Recursion Pharmaceuticals, Inc. (US) 2025-11-05 EP disclosed
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed