SCHEMBL2853637

SCHEMBL2853637

CCOC(=O)Oc1sc2nc(-c3ccccc3)cc(C)c2c1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 9/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 10/20 0.48
ALDH1A1 P00352 6/20 0.48
GAA P10253 3/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
LIMK1 P53667 1/20 0.45
ALOX5 P09917 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL5729872 0.86 MEN1 (0.67) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL1322128 0.83 MEN1 (0.73) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL2855286 0.78 MEN1 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5740675 0.78 MEN1 (0.56) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL2858661 0.77 KDM4E (0.60) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL5742012 0.77 MEN1 (0.54) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL4196310 0.76 MEN1 (0.81) MEN1KMT2AKDM4ESMN1; SMN2NPC1
SCHEMBL5739770 0.75 MEN1 (0.52) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL5730706 0.75 MEN1 (0.52) MEN1KMT2AKDM4EHPGDSMN1; SMN2
SCHEMBL5739582 0.75 MEN1 (0.52) MEN1KMT2AKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773840-B1 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINES AND PYRIDO[3',2':4,5]FURO[3,2-D]-PYRIMIDINES FOR USE AS INHIBITORS OF PDA-4 AND/OR TNF-ALPHA RELEASE MEDICINES CO LEIPZIG GMBH (DE) 2010-01-20 EP disclosed
WO-2006010568-A2 SUBSTITUTED PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE-2,4(1 H,3H)-DIONES AND -4(3H)-ONES, AND USE THEREOF AS INHIBITORS OF TNF-ALPHA RELEASE CURACYTE DISCOVERY GMBH (DE) 2006-02-02 WO disclosed
EP-1619197-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2,4(1H,3H)diones and -4(3H)ones as well as Pyrido[3',2':4,5]furo[3,2-d]-pyrimidin-2,4(1H,3H)diones und -4(3H)ones as inhibitors of TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 EP disclosed
EP-1619196-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidines and Pyrido[3',2':4,5]furo[3,2-d]-pyrimidines for use as inhibitors of PDA-4 and/or TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 EP disclosed