SCHEMBL4029976

SCHEMBL4029976

CN1CCN(C(=O)c2ccc(-c3c(O)[nH]c4ccc([N+](=O)[O-])cc34)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
FLT3 P36888 6/20 0.45
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
KDR P35968 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
MET P08581 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41
NTRK1 P04629 1/20 0.41
CDK1 P06493 1/20 0.41

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
Fumaric Acid SCHEMBL4059029 0.95 HRH4 (0.47) HRH4L3MBTL1FLT3FGFR1FLT1
Fumaric Acid SCHEMBL4059019 0.95 HRH4 (0.47) HRH4L3MBTL1FLT3FGFR1FLT1
Fumaric Acid SCHEMBL4059032 0.95 HRH4 (0.47) HRH4L3MBTL1FLT3FGFR1FLT1
SCHEMBL4061274 0.89 KDM4E (0.49) FLT3ALDH1A1HPGDCCNE1CDK2
SCHEMBL4059025 0.85 HRH4 (0.46) HRH4L3MBTL1FLT3FGFR1FLT1
SCHEMBL4065223 0.85 L3MBTL3 (0.49) L3MBTL1CDK5CDK5R1GSK3AGSK3B
Hydrochloric Acid SCHEMBL4060911 0.84 L3MBTL3 (0.48) L3MBTL1CDK5CDK5R1GSK3AGSK3B
SCHEMBL4057858 0.83 TLR9 (0.42) FLT3CCNE1CDK2CDK5CDK5R1
Hydrochloric Acid SCHEMBL4060793 0.83 TLR9 (0.41) FLT3CCNE1CDK2CDK5CDK5R1
SCHEMBL4058011 0.82 ALDH1A1 (0.45) FLT3ALDH1A1CCNE1CDK2CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492785-B9 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2009-10-21 EP claimed
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO claimed
EP-1492785-B1 2-HYDROXY-3-HETEROARYLINDOLE DERIVATIVES AS GSK3 INHIBITORS ASTRAZENECA AB (SE) 2008-12-03 EP claimed
US-7399780-B2 3-Heterocyclyl-indole inhibitors of glycogen synthase kinase-3 ASTRAZENECA AB (SE) 2008-07-15 US claimed
US-20230115252-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES UNIVERSITÉ PARIS CITÉ (FR) 2023-04-13 US disclosed
EP-3741375-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-11-25 EP disclosed
US-20200323900-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2020-10-15 US disclosed
US-20170209488-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
EP-3169337-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-05-24 EP disclosed
WO-2016207366-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-12-29 WO disclosed
WO-2016008966-A1 METHODS FOR TREATING NEUROMUSCULAR JUNCTION-RELATED DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-01-21 WO disclosed
WO-2009017454-A1 NEW THERAPEUTIC COMBINATION OF A GSK3 INHIBITOR AND AN A7-NICOTINIC AGONIST 960 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009017455-A1 A NEW COMBINATION OF (A) AN ALPHA-4-BETA-2 -NEURONAL NICOTINIC AGONIST AND (B) A GSK3 INHIBITOR ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
WO-2009017453-A1 NEW THERAPEUTIC COMBINATION OF AN ANTIPSYCHOTIC AND A GSK3 INHIBITOR 958 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed
CN-1642938-A Novel compounds ASTRAZENECA AB (SE) 2005-07-20 CN disclosed