SCHEMBL19903458

SCHEMBL19903458

N#Cc1cccc(-c2ccc3c4ccc(-c5cccc(C#N)c5)cc4n(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc(-n5c6cc(-c7cccc(C#N)c7)ccc6c6ccc(-c7cccc(C#N)c7)cc65)c4C#N)c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
RXRA P19793 1/20 0.40
RXRG P48443 1/20 0.40
PDK2 Q15119 1/20 0.37
MAT2A P31153 1/20 0.36
TRPA1 O75762 1/20 0.35
CETP P11597 1/20 0.35
KIF11 P52732 1/20 0.35
SYK P43405 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MAP4K4 O95819 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCR6 P51684 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL22760676 1.00 PTPN5 (0.41) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL20617061 0.98 RXRA (0.42) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL21546825 0.96 PTPN5 (0.41) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL19918029 0.96 PTPN5 (0.41) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL22822641 0.94 PTPN5 (0.41) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL22822627 0.93 RXRA (0.45) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL19918030 0.93 SYK (0.41) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL21547134 0.92 PTPN5 (0.42) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL19917998 0.92 RXRA (0.44) PTPN5GRIN1GRIN2BRXRARXRG
SCHEMBL19903455 0.91 PTPN5 (0.38) PTPN5GRIN1GRIN2BRXRARXRG

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-3360945-B1 ORGANIC ELECTROLUMINESCENT DEVICE CYNORA GMBH (DE) 2019-04-24 EP disclosed
EP-3287450-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-20 EP disclosed
EP-3287450-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP disclosed