SCHEMBL8300871

SCHEMBL8300871

COc1ccc(CN2c3ncccc3C(=O)N(C)c3cccnc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.64
APP P05067 2/20 0.54
MAPT P10636 2/20 0.54
SNCA P37840 2/20 0.54
KDM4E B2RXH2 2/20 0.50
HKDC1 Q2TB90 1/20 0.50
CASP3 P42574 2/20 0.49
CMA1 P23946 1/20 0.46
MEN1 O00255 1/20 0.46
APAF1 O14727 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CHRM5 P08912 1/20 0.46

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
SCHEMBL8300613 0.87 BRD4 (0.60) BRD4APPMAPTSNCA
SCHEMBL8791147 0.79 BRD4 (0.64) BRD4APPMAPTSNCA
SCHEMBL8299610 0.79 MAPT (0.52) BRD4APPMAPTSNCAKDM4E
SCHEMBL8299587 0.79 CYP3A4 (0.52) BRD4
SCHEMBL30203908 0.78 BRD4 (1.00) BRD4
SCHEMBL8299628 0.77 BRD4 (0.45) BRD4
SCHEMBL8298691 0.73 BRD4 (0.61) BRD4APPMAPTSNCAKDM4E
SCHEMBL8304540 0.73 BRD4 (0.55) BRD4
SCHEMBL30825116 0.72 KDM4E (0.53) BRD4APPMAPTSNCAKDM4E
SCHEMBL9375685 0.72 DRD2 (0.49) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0429987-B1 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 PHARMA (US) 1999-03-17 EP disclosed
US-5620974-A ENZYME INHIBITOR, TREATS ACQUIRED IMMUNE DEFICIENCY SYNDROME(AIDS) BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-04-15 US disclosed
US-5366972-A 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) 1994-11-22 US disclosed
EP-0393529-B1 5,11-dihydro-6H-dipyrido [3,2-b:2',3'-e][1,4]diazepin-6-ones and their use in the prevention or treatment of AIDS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1993-06-30 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-0393529-A1 5,11-dihydro-6H-dipyrido [3,2-b:2',3'-e][1,4]diazepin-6-ones and their use in the prevention or treatment of AIDS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1990-10-24 EP disclosed