SCHEMBL5014129

SCHEMBL5014129

Fc1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccccc3)n2)cc1

nearest known ligand 0.97

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 12/20 0.97
MAPT P10636 4/20 0.71
MAPK1 P28482 4/20 0.71
KMT2A Q03164 3/20 0.71
NPSR1 Q6W5P4 3/20 0.71
KDM4E B2RXH2 2/20 0.71
XBP1 P17861 1/20 0.71
RECQL P46063 1/20 0.62
EGFR P00533 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL5015555 0.92 KCNH3 (1.00) KCNH3MAPTMAPK1KMT2ANPSR1
SCHEMBL5023687 0.86 KCNH3 (0.84) KCNH3MAPTMAPK1KMT2ANPSR1
SCHEMBL1391142 0.82 MAPT (0.87) KCNH3MAPTMAPK1KMT2ANPSR1
SCHEMBL10243636 0.80 MAPT (0.79) KCNH3MAPTMAPK1KMT2ANPSR1
SCHEMBL1391167 0.78 MAPT (0.81) KCNH3MAPTMAPK1KMT2ANPSR1
SCHEMBL1391420 0.78 MAPT (0.81) KCNH3MAPTMAPK1KMT2ANPSR1
SCHEMBL1390857 0.78 KCNH3 (0.65) KCNH3MAPTMAPK1KMT2ANPSR1
SCHEMBL1923791 0.78 KCNH3 (0.97) KCNH3
SCHEMBL1390625 0.78 MAPT (0.71) KCNH3MAPTMAPK1KMT2ANPSR1
SCHEMBL1390912 0.78 MAPT (0.71) KCNH3MAPTMAPK1KMT2ANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed