SCHEMBL21297031

SCHEMBL21297031

[c]1cccc2sc3c(-c4ccccc4)cccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
LIMK1 P53667 3/20 0.40
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
F9 P00740 1/20 0.36
PARP14 Q460N5 1/20 0.34
SLC9A1 P19634 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.32
GPR3 P46089 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
LTK P29376 1/20 0.31
KDR P35968 1/20 0.31
MAPK8 P45983 1/20 0.31

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
SCHEMBL21295906 0.87 TDO2 (0.39) ALOX5LIMK1MAPTRAB9ATDO2
SCHEMBL21295913 0.79 KRAS (0.41) ALOX5MAPTRAB9ATDO2CYP1A2
SCHEMBL2810404 0.78 ALOX5 (0.63) ALOX5LIMK1TNKSTNKS2F9
SCHEMBL29362337 0.78 ALOX5 (0.63) ALOX5LIMK1TNKSTNKS2F9
SCHEMBL21295839 0.78 LIMK1 (0.41) LIMK1F9SLC9A1RAB9ACLK4
SCHEMBL7471897 0.78 TNKS (0.38) ALOX5LIMK1TNKSTNKS2F9
SCHEMBL21295771 0.76 MAPT (0.36) MEN1MAPTRAB9AKMT2AGPR3
SCHEMBL17117671 0.75 ALOX5 (0.64) ALOX5LIMK1TNKSTNKS2F9
SCHEMBL30150735 0.75 ALOX5 (0.64) ALOX5LIMK1TNKSTNKS2F9
SCHEMBL18435735 0.75 ALOX5 (0.64) ALOX5LIMK1TNKSTNKS2F9

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
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed