SCHEMBL5777050

SCHEMBL5777050

CC(=O)c1cccc2c(Nc3ccccn3)c3ccccc3cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.45
TDP2 O95551 1/20 0.45
CDC25B P30305 1/20 0.45
CASP6 P55212 1/20 0.45
RCE1 Q9Y256 1/20 0.45
NPC1 O15118 9/20 0.43
RAB9A P51151 9/20 0.43
KMT2A Q03164 7/20 0.43
LMNA P02545 4/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK10 P53779 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
AGTR1 P30556 1/20 0.42
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL5773855 0.80 APAF1 (0.47) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5775081 0.79 APAF1 (0.56) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5773734 0.72 APAF1 (0.50) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5778237 0.72 APAF1 (0.47) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5775634 0.72 APAF1 (0.47) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5776931 0.71 APAF1 (0.46) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5774798 0.71 KMT2A (0.44) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL10391094 0.71 KDM4E (0.57) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL30017317 0.71 KDM4E (0.57) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL29875368 0.70 KDM4E (0.67) CDC25BNPC1RAB9AKMT2APOLB

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