SCHEMBL4554798

SCHEMBL4554798

O=C(O)C1C=Cc2cccnc2N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 4/20 0.35
NAPRT Q6XQN6 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
P4HTM Q9NXG6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GSK3B P49841 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CES2 O00748 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
SCHEMBL31445919 1.00 TNKS2 (0.35) TNKS2NAPRTL3MBTL1LMNAP4HTM
SCHEMBL25175695 0.86 PARP1 (0.33) TNKS2NAPRTL3MBTL1LMNAP4HTM
SCHEMBL31691814 0.86 PARP1 (0.33) TNKS2NAPRTL3MBTL1LMNAP4HTM
SCHEMBL29165232 0.79 POLB (0.42) TNKS2L3MBTL1LMNATDP1ALDH1A1
SCHEMBL24735437 0.76 GSK3B (0.33) TNKS2GSK3B
SCHEMBL19142929 0.73 GSK3B (0.40) TNKS2GSK3B
Hydrochloric Acid SCHEMBL7435031 0.71 MAPT (0.39) KDM4ETDP1NPC1ALDH1A1CYP3A4
SCHEMBL28616267 0.69 GSK3B (0.31) TNKS2GSK3B
SCHEMBL29763588 0.69 TNKS2 (0.34) TNKS2ALDH1A1KMT2A
SCHEMBL9535536 0.68 KDM4E (0.33) TNKS2L3MBTL1KDM4EGSK3BTDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3774817-A1 BCL6 INHIBITORS Cancer Research Technology Limited (GB) 2021-02-17 EP disclosed
WO-2019197842-A1 BCL6 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-17 WO disclosed
EP-2136810-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS Merck & Co., Inc. (US) 2009-12-30 EP disclosed
WO-2008130527-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
CN-1148369-C 1,8-naphthyridine derivatives ֮����ҩ��ʽ���� 2004-05-05 CN disclosed
CN-1382141-A 1,8-naphthyridine derivatives YAMANOUCHI PHARMA CO LTD (JP) 2002-11-27 CN disclosed
EP-0784622-A1 NAPHTHYRIDINONE DERIVATIVES Knoll AG (DE) 1997-07-23 EP disclosed
WO-1996011199-A1 NAPHTHYRIDINONE DERIVATIVES KNOLL AKTIENGESELLSCHAFT (DE) 1996-04-18 WO disclosed
WO-1995007909-A1 ALKYL-1-ALKYL-4-HYDROXY-2-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLATES AS ANTI-RHEUMATIC AGENTS KNOLL AG (DE) 1995-03-23 WO disclosed