SCHEMBL21295885

SCHEMBL21295885

[c]1cccc2sc3cc(-c4ccncc4)ccc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 3/20 0.43
PIK3CA P42336 3/20 0.40
PDE3B Q13370 3/20 0.40
PDE3A Q14432 3/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PIP5K1C O60331 1/20 0.40
PI4KA P42356 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ALK Q9UM73 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKCG P05129 1/20 0.35
LYN P07948 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
AKT1 P31749 1/20 0.35
FLT3 P36888 1/20 0.35
CSNK1D P48730 1/20 0.35

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
SCHEMBL21295954 0.88 PIK3CA (0.40) LIMK1PIK3CAPDE3BPDE3APIK3CD
SCHEMBL21295765 0.86 LIMK1 (0.40) LIMK1PIK3CAPIK3CGPI4KAPI4KB
SCHEMBL21295732 0.79 PIK3CD (0.46) PIK3CAPIK3CDPIK3CGPI4KAPI4KB
SCHEMBL28304152 0.78 RAB9A (0.50) LIMK1PIK3CAPDE3BPDE3APIK3CD
SCHEMBL21295776 0.75 LIMK1 (0.44) LIMK1PIK3CAPDE3BPDE3APIK3CD
SCHEMBL21295746 0.74 LIMK1 (0.40) LIMK1PIK3CAPI4KAPI4KBMAP4K4
SCHEMBL21295713 0.73 PIK3CA (0.43) LIMK1PIK3CAPIK3CDPIK3CGPIP5K1C
SCHEMBL21300580 0.73 BCL2L1 (0.37) NPC1RAB9ALMNAMAPT
SCHEMBL21295749 0.73 LIMK1 (0.45) LIMK1PIK3CAPDE3BPDE3APIK3CD
SCHEMBL25028179 0.73 PDE3B (0.56) LIMK1PIK3CAPDE3BPDE3APIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
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