SCHEMBL6236586

SCHEMBL6236586

O=C(OCc1ccccc1)c1ccncn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 2/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
P2RX7 Q99572 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
CYP3A4 P08684 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
SCHEMBL7148847 0.85 LMNA (0.58) KMT2ALMNAPOLBPKML3MBTL1
SCHEMBL28671539 0.82 POLB (0.46) TDP1KMT2ALMNASLC6A2SLC6A3
SCHEMBL2706447 0.82 PKM (0.71) TDP1KMT2ALMNASLC6A2SLC6A3
SCHEMBL30711263 0.82 PKM (0.71) TDP1KMT2ALMNASLC6A2SLC6A3
Hydrochloric Acid SCHEMBL28329265 0.81 PKM (0.69) TDP1KMT2ALMNASLC6A2SLC6A3
SCHEMBL1551668 0.81 PKM (0.69) TDP1KMT2ALMNASLC6A2SLC6A3
SCHEMBL6464062 0.80 P2RX7 (0.42) KMT2APOLBPKMTSHRNPSR1
SCHEMBL19607728 0.79 TDP1 (0.58) TDP1KMT2ALMNASLC6A2SLC6A3
SCHEMBL6634152 0.78 TSHR (0.74) TDP1KMT2ALMNASLC6A2SLC6A3
SCHEMBL7024932 0.78 GAA (0.56) TDP1KMT2APKMALDH1A1L3MBTL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
CN-117769554-A Small molecule inhibitors of KRAS muteins 大鹏药品工业株式会社 2024-03-26 CN disclosed
CN-117677614-A Heterocyclic compound with AKT kinase inhibition activity, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-03-08 CN disclosed
WO-2022174796-A1 PYRIMIDINE COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2022-08-25 WO disclosed
CN-110088103-B Novel tetrahydropyridopyrimidine compounds for the treatment and prophylaxis of hepatitis b virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
CN-110088104-B Tetrahydropyridopyrimidine compounds for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
CN-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 CN disclosed
CN-109311880-B Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infections 豪夫迈·罗氏有限公司 2021-09-03 CN disclosed
CN-113302192-A Process for preparing tetrahydropyridopyrimidines 豪夫迈·罗氏有限公司 2021-08-24 CN disclosed
CN-110088104-A For treating and preventing hepatitis b virus infected new tetrahydropyridine and pyrimidine compound 豪夫迈·罗氏有限公司 2019-08-02 CN disclosed
CN-101208093-A Use of pyrazolyl-pyrimidine derivatives in the treatment of pain ASTRAZENECA AB CLAESSON ALF (SE) 2008-06-25 CN disclosed
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
CN-1537105-A Quinazolines useful as MMP-13 inhibitors ��������ʲ��������ι�˾ 2004-10-13 CN disclosed
CN-1487942-A Hexahydropyrrolo [1,2-c] pyrimidines as antiviral, antifungal and/or antitumor agents �Ϻ���ͨ��ѧ 2004-04-07 CN disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed