SCHEMBL2222171

SCHEMBL2222171

Nc1cccc(CN2CCCCC2=O)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
MAPK1 P28482 1/20 0.52
KMT2A Q03164 1/20 0.52
PARP1 P09874 3/20 0.46
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

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
SCHEMBL4055380 0.98 L3MBTL1 (0.68) L3MBTL1HRH3MAPK1KMT2APARP1
SCHEMBL2720932 0.95 L3MBTL1 (0.58) L3MBTL1HRH3MAPK1KMT2APARP1
Hydrochloric Acid SCHEMBL6818484 0.94 L3MBTL1 (0.56) L3MBTL1HRH3MAPK1KMT2APARP1
SCHEMBL5788139 0.84 L3MBTL1 (0.52) L3MBTL1HRH3MAPK1KMT2APARP1
SCHEMBL2223756 0.82 L3MBTL1 (0.70) L3MBTL1HRH3MAPK1KMT2APARP1
SCHEMBL30799059 0.82 L3MBTL1 (0.65) L3MBTL1HRH3PARP1CDC7PLK4
SCHEMBL22815820 0.82 L3MBTL1 (0.65) L3MBTL1HRH3PARP1CDC7PLK4
SCHEMBL8799328 0.82 L3MBTL1 (0.65) L3MBTL1HRH3KMT2APARP1CDC7
SCHEMBL13534478 0.82 L3MBTL1 (0.65) L3MBTL1HRH3MAPK1KMT2APARP1
SCHEMBL27383396 0.82 L3MBTL1 (0.65) L3MBTL1HRH3MAPK1KMT2APARP1

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-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed