SCHEMBL20050520

SCHEMBL20050520

N#Cc1c(C#N)c(N)c2nsnc2c1N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPY1R P25929 1/20 0.32
HTT P42858 1/20 0.32
NPY2R P49146 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL28924637 0.85 MAPT (0.33) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL24484539 0.72 MAPT (0.41) MAPTMEN1KMT2AKDM4EHIF1A
SCHEMBL2896109 0.71 MAPK1 (0.39) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL20044004 0.70
SCHEMBL19351826 0.70 ALDH1A1 (0.33) MEN1KMT2AALDH1A1HTTRECQL
SCHEMBL257288 0.70
SCHEMBL30102547 0.68 BPTF (0.36) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL21896579 0.68 MAPK1 (0.38) MAPTMEN1KMT2AMAPK1ALDH1A1
Methane SCHEMBL28928106 0.68 MAPK1 (0.38) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL24070657 0.68 BPTF (0.36) MAPTMEN1KMT2AMAPK1ALDH1A1

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
WO-2018065356-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed