SCHEMBL28567798

SCHEMBL28567798

[c]1ccc2c(c1)sc1ccc(-c3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.43
LIMK1 P53667 2/20 0.40
GPR3 P46089 1/20 0.36
ROCK1 Q13464 1/20 0.36
F9 P00740 2/20 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
CYP1A2 P05177 1/20 0.33
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
TRIM58 Q8NG06 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

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
SCHEMBL21295601 0.89 LIMK1 (0.41) PIM3LIMK1GPR3F9PIK3CA
SCHEMBL21295777 0.84 PIK3CA (0.41) PIM3LIMK1ROCK1PIK3CAPI4KA
SCHEMBL3156901 0.82 LIMK1 (0.51) PIM3LIMK1GPR3ROCK1F9
SCHEMBL29828944 0.82 LIMK1 (0.51) PIM3LIMK1GPR3ROCK1F9
SCHEMBL14296006 0.82 LIMK1 (0.51) PIM3LIMK1GPR3ROCK1F9
SCHEMBL15987558 0.81 GPR3 (0.50) PIM3LIMK1GPR3CYP1A2PTPN7
SCHEMBL20706799 0.81 GPR3 (0.58) PIM3LIMK1GPR3ROCK1F9
SCHEMBL20880708 0.81 GPR3 (0.58) PIM3LIMK1GPR3ROCK1F9
SCHEMBL26820460 0.81 GPR3 (0.58) PIM3LIMK1GPR3ROCK1F9
SCHEMBL20821592 0.81 GPR3 (0.58) PIM3LIMK1GPR3ROCK1F9

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
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