SCHEMBL3974731

SCHEMBL3974731

[c]1ccc(-c2ccnc3ccccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.49
HTR2B P41595 1/20 0.49
MTNR1A P48039 1/20 0.49
KCNH2 Q12809 1/20 0.49
CYP1A2 P05177 1/20 0.47
ACVR1 Q04771 4/20 0.47
AURKA O14965 1/20 0.47
TTK P33981 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
TGFBR1 P36897 1/20 0.46
MAPK14 Q16539 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NCF1 P14598 1/20 0.46

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
SCHEMBL695067 0.87 CA12 (0.55) GRM4ACVR1KDM4EMAPTCA12
SCHEMBL30439957 0.84 TGFBR1 (0.60) GRM4HTR2BMTNR1AKCNH2CYP1A2
SCHEMBL35327 0.84 TGFBR1 (0.60) GRM4HTR2BMTNR1AKCNH2CYP1A2
SCHEMBL12074333 0.81 PIK3CA (0.65) GRM4HTR2BMTNR1AKCNH2CYP1A2
SCHEMBL27898092 0.81 PIK3CA (0.65) GRM4HTR2BMTNR1AKCNH2CYP1A2
SCHEMBL21295805 0.81 TGFBR1 (0.47) GRM4HTR2BMTNR1AKCNH2CYP1A2
SCHEMBL29699887 0.80 CYP1A2 (0.60) GRM4HTR2BMTNR1AKCNH2CYP1A2
SCHEMBL1227713 0.80 CYP1A2 (0.60) GRM4HTR2BMTNR1AKCNH2CYP1A2
SCHEMBL27917128 0.80 CYP1A2 (0.60) GRM4HTR2BMTNR1AKCNH2CYP1A2
Formaldehyde SCHEMBL27672857 0.79 TGFBR1 (0.55) GRM4HTR2BMTNR1AKCNH2CYP1A2

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 27 patents — showing the first 20. 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
CN-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
CN-107235896-A Tyrosine kinase inhibitor and application thereof 上海翔锦生物科技有限公司 2017-10-10 CN disclosed
CN-106573912-A Triazine compound, method for producing same, and application for same 东曹株式会社 2017-04-19 CN disclosed
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
EP-1558581-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-08-03 EP disclosed
EP-1546109-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
US-6906053-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
US-6890915-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-05-10 US disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
WO-2004033632-A2 HYDANTOIN DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
WO-2004032846-A2 TRIAZOLONE AND TRIAZOLETHIONE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-22 WO disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed