SCHEMBL1923771

SCHEMBL1923771

c1ccc(Nc2nc(NCc3ncccn3)nc(Nc3ccccc3)n2)cc1

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 17/20 0.82
RECQL P46063 1/20 0.57
MCL1 Q07820 1/20 0.57
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL535908 0.91 KCNH3 (1.00) KCNH3
SCHEMBL1280999 0.85 KCNH3 (1.00) KCNH3
SCHEMBL1923769 0.85 KCNH3 (0.67) KCNH3RECQLMCL1
SCHEMBL1923808 0.83 MAOA (0.69) KCNH3RECQLMCL1
SCHEMBL11281985 0.81 MAOA (0.64) KCNH3MAPTKMT2AKDM4E
SCHEMBL540957 0.79 KCNH3 (0.86) KCNH3MAPK1KDM4E
SCHEMBL633400 0.78 MEN1 (0.77) KCNH3RECQLMCL1MEN1MAPT
SCHEMBL1924273 0.77 KCNH3 (1.00) KCNH3RECQLMCL1
SCHEMBL1282182 0.76 KCNH3 (1.00) KCNH3MEN1MAPTKMT2AMAPK1
SCHEMBL15102583 0.76 MAOA (0.58) 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 2 patents. 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
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US claimed