SCHEMBL21546770

SCHEMBL21546770

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.36
CHEK1 O14757 1/20 0.35
PDK2 Q15119 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
PRF1 P14222 1/20 0.33
ADRA2C P18825 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PGR P06401 2/20 0.33
ADORA2A P29274 2/20 0.33
ALDH1A3 P47895 1/20 0.33
ADORA1 P30542 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
MAP4K4 O95819 1/20 0.32
PTPN5 P54829 1/20 0.32

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
SCHEMBL22760706 0.96 STS (0.36) STSCHEK1PDK2SMN1; SMN2HIF1A
SCHEMBL21546829 0.94 STS (0.36) STSCHEK1PDK2PRF1ADRA2C
SCHEMBL21414183 0.94 STS (0.37) STSSMN1; SMN2HIF1APGRPRMT5
SCHEMBL21547012 0.93 GRIN1 (0.37) CHEK1PDK2SMN1; SMN2HIF1AADRA2C
SCHEMBL22760705 0.92 CHEK1 (0.33) STSCHEK1PDK2PRF1GRIN1
SCHEMBL22760702 0.90 GRIN1 (0.33) CHEK1PDK2SMN1; SMN2HIF1AADRA2C
SCHEMBL19917514 0.89 STS (0.37) STSSMN1; SMN2HIF1APRMT5WDR77
SCHEMBL22760704 0.89 GRIN1 (0.39) CHEK1PDK2SMN1; SMN2HIF1AADRA2C
SCHEMBL21546822 0.89 MAP4K4 (0.36) STSCHEK1PDK2HIF1APRF1
SCHEMBL21547125 0.89 PDK2 (0.39) STSCHEK1PDK2PRF1ADRA2C

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-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP disclosed