SCHEMBL5777744

SCHEMBL5777744

CCOc1cc2ccc(Nc3ccccn3)c3ccc4cccc1c4c23

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.47
MAPK10 P53779 2/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ACP1 P24666 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL5780874 0.84 ACP1 (0.45) MAPK10KMT2AMEN1L3MBTL1ACP1
SCHEMBL5771541 0.82 KMT2A (0.44) MAPK10KMT2AMEN1L3MBTL1ACP1
SCHEMBL5749052 0.81 KMT2A (0.55) MAPK10KMT2AMEN1L3MBTL1ACP1
SCHEMBL5771888 0.77 MAPK10 (0.44) MAPK10KMT2AMEN1L3MBTL1ACP1
SCHEMBL5774898 0.74 KMT2A (0.46) MAPK10KMT2AMEN1L3MBTL1ACP1
SCHEMBL5770706 0.72 KMT2A (0.46) MAPK10KMT2AMEN1L3MBTL1ACP1
SCHEMBL5750843 0.71 ALDH1A1 (0.39) GRM5MAPK10KMT2AMEN1L3MBTL1
SCHEMBL5748108 0.71 RIOK2 (0.44) MAPK10KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL5770309 0.70 ALDH1A1 (0.43) MAPK10KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL5750823 0.70 KDM4E (0.37) MAPK10KMT2AMEN1L3MBTL1ALDH1A1

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed