SCHEMBL21295900

SCHEMBL21295900

[c]1coc2cc(-c3ccncc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.46
CYP19A1 P11511 1/20 0.44
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
QDPR P09417 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
AAK1 Q2M2I8 4/20 0.36
ACVR1 Q04771 1/20 0.35
NOTUM Q6P988 1/20 0.34
KIF11 P52732 2/20 0.34
ERN1 O75460 1/20 0.34
CLK1 P49759 1/20 0.34
JAK2 O60674 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHUK O15111 1/20 0.33

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
SCHEMBL21296097 0.80 CYP19A1 (0.49) CYP19A1ERN1
SCHEMBL21295914 0.74 DYRK1A (0.49) DYRK1ACYP19A1PDE3BPDE3AQDPR
SCHEMBL21295670 0.73 KDM4E (0.39) CYP19A1MAPTLMNASMN1; SMN2
SCHEMBL21295620 0.67 MEN1 (0.47) CYP19A1
SCHEMBL21295639 0.67 PGR (0.40) MAPTLMNA
SCHEMBL21295607 0.66 PDE3B (0.44) DYRK1APDE3BPDE3AQDPRMAPT
SCHEMBL135626 0.66 MAPT (0.92) DYRK1APDE3BPDE3AQDPRMAPT
SCHEMBL10000032 0.66 MAPT (0.92) DYRK1APDE3BPDE3AQDPRMAPT
SCHEMBL22121606 0.64 PIK3CA (0.41) DYRK1APDE3BPDE3AQDPRMAPT
SCHEMBL21295740 0.64 CYP19A1 (0.51) DYRK1ACYP19A1PDE3BPDE3AQDPR

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