SCHEMBL19903455

SCHEMBL19903455

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(-c6ccc7c8ccccc8n(-c8cc(-c9cc(C(F)(F)F)cc(C(F)(F)F)c9)cc(-n9c%10ccccc%10c%10ccc(-c%11cccc(C#N)c%11)cc%109)c8C#N)c7c6)c5)ccc43)c2C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.38
RXRA P19793 1/20 0.36
RXRG P48443 1/20 0.36
GRIN1 Q05586 4/20 0.35
GRIN2B Q13224 4/20 0.35
PDK2 Q15119 1/20 0.34
MAT2A P31153 1/20 0.34
MAP4K4 O95819 1/20 0.31
CETP P11597 1/20 0.31
ICMT O60725 2/20 0.31
TRPA1 O75762 1/20 0.31
PGR P06401 1/20 0.31
ENPP1 P22413 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
KIF11 P52732 1/20 0.31
ALDH1A3 P47895 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
SCHEMBL20617063 0.99 PTPN5 (0.38) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL19918031 0.95 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL19918029 0.95 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL22822642 0.95 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL21546825 0.95 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL21546818 0.95 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL22822641 0.95 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL20617440 0.92 RXRA (0.41) PTPN5RXRARXRGICMTPGR
SCHEMBL20617436 0.92 RXRA (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL21414235 0.91 RXRA (0.41) PTPN5RXRARXRGICMTPGR

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