SCHEMBL6854201

SCHEMBL6854201

CN(C)c1nnc2n(CC=Cc3ccncc3)c(=O)c3cc(Br)ccc3n12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.36
NQO2 P16083 3/20 0.34
SLC6A2 P23975 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NQO1 P15559 1/20 0.31
FLT3 P36888 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL6854197 1.00 PLK1 (0.36) PLK1NQO2SLC6A2MEN1NPC1
SCHEMBL6856218 0.91 PLK1 (0.40) PLK1NQO2MEN1MAPTKMT2A
SCHEMBL6856216 0.91 PLK1 (0.40) PLK1NQO2MEN1MAPTKMT2A
SCHEMBL6855987 0.89 PLK1 (0.36) PLK1MEN1NPC1MAPTALOX15
SCHEMBL7004470 0.89 PLK1 (0.36) PLK1MEN1NPC1MAPTALOX15
SCHEMBL6850093 0.89 KMT2A (0.36) PLK1NQO2MEN1NPC1MAPT
SCHEMBL6850090 0.89 KMT2A (0.36) PLK1NQO2MEN1NPC1MAPT
SCHEMBL6999029 0.85 KMT2A (0.34) PLK1NQO2MEN1NPC1MAPT
SCHEMBL6999028 0.85 KMT2A (0.34) PLK1NQO2MEN1NPC1MAPT
SCHEMBL6850316 0.81 PLK1 (0.35) PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US claimed
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed