SCHEMBL5771663

SCHEMBL5771663

N#Cc1cc2cc(Nc3ccccn3)cc3ccc4cccc1c4c32

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.42
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
CDC25B P30305 1/20 0.38
CASP6 P55212 1/20 0.38
RCE1 Q9Y256 1/20 0.38
GRM4 Q14833 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
KDR P35968 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
KLF5 Q13887 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
SCHEMBL5748045 0.83 KMT2A (0.49) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5778071 0.81 TSHR (0.41) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5778374 0.81 LRRK2 (0.43) LRRK2APAF1TDP2CDC25BCASP6
SCHEMBL5771566 0.79 LRRK2 (0.43) LRRK2APAF1TDP2CDC25BCASP6
SCHEMBL5777479 0.78 KMT2A (0.40) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5747959 0.75 APAF1 (0.38) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5746906 0.72 CYP1A2 (0.43) KDM4ELMNATSHRTDP1L3MBTL1
SCHEMBL5774898 0.71 KMT2A (0.46) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5749052 0.69 KMT2A (0.55) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5772841 0.69 TSHR (0.42) APAF1TDP2CDC25BCASP6RCE1

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