SCHEMBL5771566

SCHEMBL5771566

N#Cc1cc(Nc2ccccn2)cc2cc3ccccc3cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.43
KDR P35968 2/20 0.41
APAF1 O14727 1/20 0.39
TDP2 O95551 1/20 0.39
CDC25B P30305 1/20 0.39
CASP6 P55212 1/20 0.39
RCE1 Q9Y256 1/20 0.39
GRM4 Q14833 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK10 P53779 1/20 0.39
GFER P55789 1/20 0.39
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5779900 0.79 MEN1 (0.42) KDRAPAF1TDP2CDC25BCASP6
SCHEMBL5771663 0.79 LRRK2 (0.42) LRRK2KDRAPAF1TDP2CDC25B
SCHEMBL5773720 0.75 KMT2A (0.50) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5778374 0.73 LRRK2 (0.43) LRRK2KDRAPAF1TDP2CDC25B
SCHEMBL904488 0.73 ALDH1A1 (0.55) KDRAPAF1TDP2CDC25BCASP6
SCHEMBL3035542 0.70 KDR (0.43) LRRK2KDRGRM4MEN1KMT2A
SCHEMBL5748045 0.70 KMT2A (0.49) KDRAPAF1TDP2CDC25BCASP6
SCHEMBL5776205 0.69 KMT2A (0.61) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL16227778 0.68 ABCG2 (0.57) KDRMEN1KMT2AMAPK10GFER
SCHEMBL3947897 0.68 MEN1 (0.66) LRRK2KDRMEN1KMT2AMAPK10

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