SCHEMBL31076391

SCHEMBL31076391

COC(=O)C1CCN(c2ccc(CC3CN(C(=O)OC(C)(C)C)CCO3)cc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 4/20 0.45
ERBB2 P04626 1/20 0.45
EPHB4 P54760 1/20 0.45
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 2/20 0.41
USP30 Q70CQ3 1/20 0.41
STS P08842 4/20 0.40
MAPK8 P45983 1/20 0.40
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL31076362 0.94 EPHA2 (0.44) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL31076433 0.87 EPHA2 (0.42) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL31076348 0.87 SMN1; SMN2 (0.44) EPHA2ERBB2EPHB4USP30MAPT
SCHEMBL31076430 0.86 EPHA2 (0.44) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL31076336 0.85 EPHA2 (0.44) EPHA2ERBB2EPHB4USP30MAPK8
SCHEMBL31076333 0.84 EPHA2 (0.41) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL31076359 0.82 EPHA2 (0.51) EPHA2ERBB2EPHB4NR1H4
SCHEMBL1552945 0.82 EPHA2 (0.44) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL1551919 0.82 EPHA2 (0.44) EPHA2ERBB2EPHB4PARP1PARP2
SCHEMBL31076483 0.82 EPHA2 (0.44) EPHA2ERBB2EPHB4PARP1PARP2

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