SCHEMBL542882

SCHEMBL542882

O=c1sc2ccccc2n1O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.50
KDM4E B2RXH2 2/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5606679 0.76 L3MBTL1 (0.52) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL61339 0.74 F12 (0.59) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL27039600 0.74 L3MBTL1 (0.50) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL26456483 0.74 L3MBTL1 (0.50) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL2371113 0.74 L3MBTL1 (0.55) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL8909312 0.74 L3MBTL1 (0.54) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL10831761 0.74 L3MBTL1 (0.64) L3MBTL1KDM4EPKMHTTTSHR
Formaldehyde SCHEMBL28698810 0.72 F12 (0.57) L3MBTL1KDM4EPKMHTTTSHR
Hydrochloric Acid SCHEMBL1719468 0.72 F12 (0.57) L3MBTL1KDM4EPKMHTTTSHR
SCHEMBL4616310 0.72 POLB (0.50) L3MBTL1KDM4EPKMHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016079502-A1 METAL CHELATING COMPOUNDS FOR USE IN TREATING DISEASES UNIVERSITY OF NORTHUMBRIA (GB) 2016-05-26 WO disclosed
EP-2861577-A1 TERTIARY AMINES, MEDICAMENTS CONTAINING SAID AMINES, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF Boehringer Ingelheim International GmbH (DE) 2015-04-22 EP disclosed
EP-2670736-A1 9-[4-(3-CHLOR-2-FLUOR-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE DIMALEATE, USE THEREOF AS A DRUG, AND PRODUCTION THEREOF Boehringer Ingelheim International GmbH (DE) 2013-12-11 EP disclosed
EP-2668177-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
WO-2013174757-A1 TERTIARY AMINES, MEDICAMENTS CONTAINING SAID AMINES, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-28 WO disclosed
WO-2012104206-A9 9-[4-(3-CHLOR-2-FLUOR-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE DIMALEATE, USE THEREOF AS A DRUG, AND PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-21 WO disclosed
WO-2012104206-A1 9-[4-(3-CHLOR-2-FLUOR-PHENYLAMINO)-7-METHOXY-QUINAZOLIN-6-YLOXY]-1,4-DIAZA-SPIRO[5.5]UNDECAN-5-ONE DIMALEATE, USE THEREOF AS A DRUG, AND PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-09 WO disclosed
WO-2012101013-A1 SUBSTITUTED PYRIDINYL-PYRIMIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
EP-2414338-A1 SALTS AND HYDRATES OF 4-[(3-CHLOR-4-FLUORO-PHENYL)AMINO]-6-(CIS-4-{N-[(MORPH-1-OLINO-4-YL)CARBONYL]-N-METHYL-AMINO}-CYCLOHEXANE-1-YLOXY)-7-METHOXY-QUINAZOLINE, THEIR USE AS DRUGS AND THEIR PRODUCTION Boehringer Ingelheim International GmbH (DE) 2012-02-08 EP disclosed
WO-2011098607-A1 SALTS AND HYDRATES OF 4-[(3-CHLOR-4-FLUORO-PHENYL)AMINO]-6-(CIS-4-{N-[(MORPH-1-OLINO-4-YL)CARBONYL]-N-METHYL-AMINO}-CYCLOHEXANE-1-YLOXY)-7-METHOXY-QUINAZOLINE, THEIR USE AS DRUGS AND THEIR PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed