SCHEMBL21295746

SCHEMBL21295746

[c]1cccc2sc3ccc(-c4ccccc4)cc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.40
PIM3 Q86V86 2/20 0.40
GPR3 P46089 1/20 0.36
ROCK1 Q13464 1/20 0.36
F9 P00740 3/20 0.35
PIK3CA P42336 1/20 0.34
PI4KA P42356 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
TRIM58 Q8NG06 1/20 0.32
KDM4E B2RXH2 1/20 0.32
JAK2 O60674 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32
TNKS O95271 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
SCHEMBL21295765 0.87 LIMK1 (0.40) LIMK1PIM3GPR3F9PIK3CA
SCHEMBL21295954 0.86 PIK3CA (0.40) LIMK1ROCK1PIK3CAPI4KAPI4KB
SCHEMBL21295713 0.83 PIK3CA (0.43) LIMK1ROCK1PIK3CAPI4KAPI4KB
SCHEMBL21295960 0.80 PIK3CD (0.43) PIM3PIK3CAPI4KAPI4KBPIM1
SCHEMBL5007 0.79 GPR3 (0.54) LIMK1GPR3KDM4EALDH1A1MAPT
SCHEMBL14296006 0.78 LIMK1 (0.51) LIMK1PIM3GPR3ROCK1F9
SCHEMBL3156901 0.78 LIMK1 (0.51) LIMK1PIM3GPR3ROCK1F9
SCHEMBL29828944 0.78 LIMK1 (0.51) LIMK1PIM3GPR3ROCK1F9
SCHEMBL20821592 0.77 GPR3 (0.58) LIMK1PIM3GPR3ROCK1F9
SCHEMBL20706799 0.77 GPR3 (0.58) LIMK1PIM3GPR3ROCK1F9

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