SCHEMBL21542546

SCHEMBL21542546

c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)c(-c4ccc(-c5cnc6c(ccc7c(-c8ccccc8)ccnc76)c5-c5ccccc5)cc4)cnc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.42
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
PAK4 O96013 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
FLT1 P17948 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41

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
SCHEMBL21560737 1.00 TOP2A (0.42) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL21560758 1.00 TOP2A (0.42) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL21560823 1.00 TOP2A (0.42) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL21560936 0.98 PIK3CA (0.43) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL21560729 0.92 NR1H2 (0.40) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL14030752 0.88 NR1H2 (0.42) CDK8NR1H2NR1H3TNFADORA1
SCHEMBL10032425 0.86 IKBKB (0.52) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL3289250 0.84 PIK3CA (0.53) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL28868 0.84 IKBKB (0.53) TOP2AIKBKBCHUKDAPK3JAK2
SCHEMBL28859500 0.84 IKBKB (0.53) TOP2AIKBKBCHUKDAPK3JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190348614-A1 ELECTRON TRANSPORTING LAYERS, ORGANIC ELECTROLUMINESCENCE DEVICES, AND DISPLAYS KUNSHAN GOVISIONOX OPTOELECTRONICS CO LTD (CN) 2019-11-14 US disclosed
US-20190348614-A1 ELECTRON TRANSPORTING LAYERS, ORGANIC ELECTROLUMINESCENCE DEVICES, AND DISPLAYS KUNSHAN GOVISIONOX OPTOELECTRONICS CO LTD (CN) 2019-11-14 US disclosed