SCHEMBL5772772

SCHEMBL5772772

CCCCc1ccnc(Nc2c3ccccc3cc3ccccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SCN3A Q9NY46 1/20 0.38
MME P08473 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37
NR3C2 P08235 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
PSMB5 P28074 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DHODH Q02127 1/20 0.34

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
SCHEMBL5779245 0.95 MAPT (0.43) TDP1RIOK2MAPTTRPV1KDM4E
SCHEMBL5775624 0.95 MAPT (0.43) TDP1RIOK2MAPTTRPV1KDM4E
SCHEMBL5914010 0.95 MAPT (0.43) TDP1RIOK2MAPTTRPV1KDM4E
SCHEMBL5770617 0.92 RIOK2 (0.38) RIOK2NR3C2MAPTALDH1A1NPSR1
SCHEMBL5775894 0.86 RIOK2 (0.48) CYP1A2RIOK2NR3C2MAPTNPSR1
SCHEMBL5776450 0.84 MAPK10 (0.40) LMNAMMERIOK2NR3C2MAPT
SCHEMBL5770717 0.81 RIOK2 (0.44) LMNAMMERIOK2NR3C2MAPT
SCHEMBL5774799 0.79 MAPK10 (0.38) RIOK2MAPTTRPV1KDM4E
SCHEMBL5775211 0.79 MAPK10 (0.38) RIOK2MAPTTRPV1KDM4E
SCHEMBL5769845 0.79 MAPK10 (0.38) RIOK2MAPTTRPV1KDM4E

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