SCHEMBL5775081

SCHEMBL5775081

c1ccc(Nc2c3ccccc3cc3ccccc23)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.56
TDP2 O95551 1/20 0.56
CDC25B P30305 1/20 0.56
CASP6 P55212 1/20 0.56
RCE1 Q9Y256 1/20 0.56
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
MAPK10 P53779 1/20 0.52
GFER P55789 1/20 0.52
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
MITF O75030 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5773734 0.88 APAF1 (0.50) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5778237 0.88 APAF1 (0.47) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5773855 0.85 APAF1 (0.47) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5775634 0.84 APAF1 (0.47) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5776931 0.83 APAF1 (0.46) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5914121 0.82 KMT2A (0.46) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL1861545 0.81 KDM1A (0.58) KMT2AMEN1MAPK10GFERNPC1
SCHEMBL5769647 0.80 IGF1R (0.44) APAF1TDP2CDC25BCASP6RCE1
SCHEMBL5768061 0.80 KMT2A (0.52) KMT2AMEN1MAPK10NPC1RAB9A
SCHEMBL5775866 0.79 APAF1 (0.45) 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