SCHEMBL9520355

SCHEMBL9520355

N#Cc1nc(N)c(NC2CCCC2)nc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.45
CTSK P43235 5/20 0.43
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSL P07711 2/20 0.37
CTSS P25774 1/20 0.37
CTSB P07858 1/20 0.37
NSD2 O96028 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA2A P29274 1/20 0.36
CHRM3 P20309 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36

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
SCHEMBL28257145 0.85 CTSK (0.47) CHUKCTSKKDM4EHSD17B10ALDH1A1
SCHEMBL3917850 0.73 CTSK (0.60) CHUKCTSKCTSLCTSSCTSB
SCHEMBL17008748 0.71 PDE4A (0.37) CHUKCTSKKDM4EHSD17B10ALDH1A1
SCHEMBL9521151 0.69 ALOX5AP (0.37) CTSKKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL137039 0.67 USP8 (0.35) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL23782292 0.67 CTSK (0.40) CHUKCTSKKDM4EHSD17B10ALDH1A1
SCHEMBL11650165 0.67 ALDH1A1 (0.50) CHUKCTSKKDM4EHSD17B10ALDH1A1
SCHEMBL3925553 0.66 KMT2A (0.62) CTSKCTSLCTSSCTSBNSD2
SCHEMBL15273450 0.66 CHUK (0.45) CHUKCTSKKDM4EHSD17B10ALDH1A1
SCHEMBL9519918 0.66 LMNA (0.34)

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
EP-0308895-B1 DICYANOPYRAZINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND FUNGICIDE HODOGAYA CHEMICAL CO., LTD. (JP) 1993-06-16 EP disclosed
US-5093335-A Agricultural and horticultural HODOGAYA CHEMICAL COMPANY, LTD. (JP) 1992-03-03 US disclosed
EP-0308895-A1 Dicyanopyrazine compounds, process for their preparation and fungicide HODOGAYA CHEMICAL CO., LTD. (JP) 1989-03-29 EP disclosed