SCHEMBL4606296

SCHEMBL4606296

c1cnc2c(c1)CNc1cccnc1N2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GSK3B P49841 1/20 0.41
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDH1 O75874 12/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR5A P47898 2/20 0.37

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
SCHEMBL7337375 0.87 HTR5A (0.47) ALOX15HSD17B10GSK3BCYP1A2SMN1; SMN2
SCHEMBL4162589 0.87 CYP1A2 (0.50) ALOX15HSD17B10CYP1A2SMN1; SMN2GAA
SCHEMBL2400223 0.79
SCHEMBL626994 0.77 GSK3B (0.49) ALOX15HSD17B10GSK3BCYP1A2SMN1; SMN2
SCHEMBL29361773 0.77 MB (0.53) GSK3BCYP1A2SMN1; SMN2IDH1ADRA2A
SCHEMBL13801620 0.77 ADRA2A (0.38) HSD17B10GSK3BCYP1A2SMN1; SMN2IDH1
SCHEMBL626229 0.77 MB (0.53) GSK3BCYP1A2SMN1; SMN2IDH1ADRA2A
SCHEMBL8103221 0.77 GSK3B (0.50) ALOX15HSD17B10GSK3BCYP1A2SMN1; SMN2
SCHEMBL17802889 0.76 IDH1 (0.46) GSK3BCYP1A2SMN1; SMN2GAAIDH1
SCHEMBL17803303 0.75 IDH1 (0.45) CYP1A2SMN1; SMN2IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1469858-B1 NON-NUCLEOSIDIC INHIBITORS OF REVERSE TRANSCRIPTASE AS ANTAGONISTS OF CELL PROLIFERATION AND INDUCERS OF CELL DIFFERENTIATION IST SUPERIORE SANITA (IT) 2008-07-09 EP claimed
US-20060166970-A1 Non-nucleosidic inhibitors of reverse transcriptase as antagonists of cell proliferation and inducers of cell differentiation ISTITUTO SUPERIORE DI SANITA' (IT) 2006-07-27 US claimed
EP-1469858-A1 NON-NUCLEOSIDIC INHIBITORS OF REVERSE TRANSCRIPTASE AS ANTAGONISTS OF CELL PROLIFERATION AND INDUCERS OF CELL DIFFERENTIATION Istituto Superiore di Sanità (IT) 2004-10-27 EP claimed
WO-2003055493-A1 NON-NUCLEOSIDIC INHIBITORS OF REVERSE TRANSCRIPTASE AS ANTAGONISTS OF CELL PROLIFERATION AND INDUCERS OF CELL DIFFERENTIATION ISTITUTO SUPERIORE DI SANITA` (IT) 2003-07-10 WO claimed
JP-5163272-A None JP disclosed
JP-4257584-A None JP disclosed
JP-4178386-A None JP disclosed
CN-103804378-A Preparation method for 5,11-dihydro-6H-bispyridino-[3,2-b:2',3'-e][1,4]diazepines SHANGHAI DESANO CHEMICAL PHARM 2014-05-21 CN disclosed
CN-103804378-A Preparation method for 5,11-dihydro-6H-bispyridino-[3,2-b:2',3'-e][1,4]diazepines SHANGHAI DESANO CHEMICAL PHARM 2014-05-21 CN disclosed
EP-1469858-B1 NON-NUCLEOSIDIC INHIBITORS OF REVERSE TRANSCRIPTASE AS ANTAGONISTS OF CELL PROLIFERATION AND INDUCERS OF CELL DIFFERENTIATION IST SUPERIORE SANITA (IT) 2008-07-09 EP disclosed
US-20060166970-A1 Non-nucleosidic inhibitors of reverse transcriptase as antagonists of cell proliferation and inducers of cell differentiation ISTITUTO SUPERIORE DI SANITA' (IT) 2006-07-27 US disclosed
EP-1469858-A1 NON-NUCLEOSIDIC INHIBITORS OF REVERSE TRANSCRIPTASE AS ANTAGONISTS OF CELL PROLIFERATION AND INDUCERS OF CELL DIFFERENTIATION Istituto Superiore di Sanità (IT) 2004-10-27 EP disclosed
JP-H04257584-A 5,11-DIHYDRO-6H-DIPYRID(3,2-B:2',3'-E)(1,4)DIAZEPINE AND COMPOSITION FOR PREVENTION OR TREATMENT OF HIV INFECTION CONTAINING THIS COMPOUND BOEHRINGER INGELHEIM PHARMACEUT INC 1992-09-11 JP disclosed
JP-H04178386-A 5,11-DIHYDRO-6H-DIPYRIDO(3,2-B:2',3'-E)(1,4)DIAZEPINE AND ITS FORMULATION FOR USE IN PREVENTION OR TREATMENT OF HIV INFECTION BOEHRINGER INGELHEIM PHARMACEUT INC 1992-06-25 JP disclosed
EP-0482481-A1 Method for the preparation of 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepines BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1992-04-29 EP disclosed
EP-0482481-A1 Method for the preparation of 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepines BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1992-04-29 EP disclosed
EP-0482481-A1 Method for the preparation of 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepines BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1992-04-29 EP disclosed
EP-0429987-A3 5,11-DIHYDRO-6H-DIPYRIDO(3,2-B:2',3'-E) (1,4)DIAZEPINES AND THEIR USE IN THE PREVENTION OR TREATMENT OF HIV INFECTION 1992-01-22 EP disclosed
EP-0429987-A2 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-06-05 EP disclosed
EP-0429987-A2 5,11-Dihydro-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepines and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-06-05 EP disclosed