SCHEMBL30799059

SCHEMBL30799059

O=C1CCCCN1Cc1cccc(I)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
HRH3 Q9Y5N1 1/20 0.52
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
MAPK13 O15264 1/20 0.46
PDPK1 O15530 1/20 0.46
DYRK3 O43781 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
ERBB2 P04626 1/20 0.46
NTRK1 P04629 1/20 0.46
PRKCG P05129 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
IGF1R P08069 1/20 0.46
ROS1 P08922 1/20 0.46
PARP1 P09874 1/20 0.46

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
SCHEMBL27165584 0.98 L3MBTL1 (0.68) L3MBTL1HRH3CDC7PLK4AURKA
SCHEMBL31512198 0.98 L3MBTL1 (0.68) L3MBTL1HRH3CDC7PLK4AURKA
SCHEMBL15516474 0.95 L3MBTL1 (0.58) L3MBTL1HRH3CDC7PLK4AURKA
SCHEMBL27383398 0.82 L3MBTL1 (0.70) L3MBTL1HRH3CDC7PLK4AURKA
SCHEMBL22815820 0.82 L3MBTL1 (0.65) L3MBTL1HRH3CDC7PLK4AURKA
SCHEMBL27383396 0.82 L3MBTL1 (0.65) L3MBTL1HRH3CDC7PLK4AURKA
SCHEMBL13534478 0.82 L3MBTL1 (0.65) L3MBTL1HRH3CDC7PLK4AURKA
SCHEMBL2222171 0.82 L3MBTL1 (0.65) L3MBTL1HRH3CDC7PLK4AURKA
SCHEMBL8799328 0.82 L3MBTL1 (0.65) L3MBTL1HRH3CDC7PLK4AURKA
SCHEMBL7935783 0.81 SIGMAR1 (0.46) L3MBTL1HTR2CACHESMN1; SMN2SIGMAR1

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
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed