SCHEMBL21964515

SCHEMBL21964515

Cc1cn(C(=O)OC(C)(C)C)c2cccc(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
BCHE P06276 1/20 0.38
EPHX1 P07099 1/20 0.38
NR1H2 P55055 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HTR6 P50406 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIM1 P11309 1/20 0.36
MARK3 P27448 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2B Q13554 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
SCN3A Q9NY46 4/20 0.35
SCN4A P35499 2/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL31134749 0.84 L3MBTL1 (0.45) L3MBTL1BRD4CREBBPBCHEEPHX1
SCHEMBL3437973 0.84 L3MBTL1 (0.45) L3MBTL1BRD4CREBBPBCHEEPHX1
SCHEMBL27192126 0.81 L3MBTL1 (0.39) L3MBTL1BCHEEPHX1HSP90AA1HSP90AB1
SCHEMBL31509900 0.81 L3MBTL1 (0.39) L3MBTL1BCHEEPHX1HSP90AA1HSP90AB1
SCHEMBL23748055 0.79 L3MBTL1 (0.45) L3MBTL1BRD4CREBBPBCHEEPHX1
SCHEMBL30548022 0.79 L3MBTL1 (0.45) L3MBTL1BRD4CREBBPBCHEEPHX1
SCHEMBL1196432 0.78 L3MBTL1 (0.62) L3MBTL1BRD4CREBBPBCHEEPHX1
SCHEMBL29443977 0.77 L3MBTL1 (0.44) L3MBTL1BRD4CREBBPBCHEEPHX1
SCHEMBL15902467 0.77 L3MBTL1 (0.44) L3MBTL1BRD4CREBBPBCHEEPHX1
SCHEMBL21259416 0.77 L3MBTL1 (0.57) L3MBTL1BRD4CREBBPBCHEEPHX1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed