SCHEMBL1923769

SCHEMBL1923769

c1ccc(Nc2nc(NCCc3ncccn3)nc(Nc3ccccc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 18/20 0.67
RECQL P46063 1/20 0.61
MCL1 Q07820 1/20 0.61

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
SCHEMBL1923771 0.85 KCNH3 (0.82) KCNH3RECQLMCL1
SCHEMBL1246556 0.81 L3MBTL1 (0.55) KCNH3
SCHEMBL535908 0.80 KCNH3 (1.00) KCNH3
SCHEMBL5017707 0.79 KCNH3 (1.00) KCNH3RECQLMCL1
SCHEMBL12373456 0.76 RECQL (0.69) KCNH3RECQLMCL1
SCHEMBL3294674 0.76 RECQL (1.00) KCNH3RECQLMCL1
SCHEMBL1923808 0.75 MAOA (0.69) KCNH3RECQLMCL1
SCHEMBL17577161 0.75 MEN1 (0.79) KCNH3RECQLMCL1
SCHEMBL1280999 0.74 KCNH3 (1.00) KCNH3
SCHEMBL633400 0.74 MEN1 (0.77) KCNH3RECQLMCL1

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
EP-1479397-B1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-06-08 EP claimed