SCHEMBL8301869

SCHEMBL8301869

CCCN1c2ncccc2NC(=O)c2cccnc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.48
RAB9A P51151 1/20 0.48
CYP1A2 P05177 2/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GMNN O75496 1/20 0.46
APEX1 P27695 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
SCHEMBL8300334 0.89 RAB9A (0.50) CHRM2RAB9ACYP1A2LMNAUSP2
SCHEMBL8300867 0.80 RAB9A (0.53) CHRM2RAB9ACYP1A2LMNAUSP2
SCHEMBL8790717 0.80 RAB9A (0.53) CHRM2RAB9ACYP1A2LMNAUSP2
SCHEMBL9369774 0.80 RAB9A (0.59) CHRM2RAB9ACYP1A2LMNAUSP2
SCHEMBL8706553 0.79 AKT1 (0.38) CHRM2RAB9ACYP1A2LMNAUSP2
SCHEMBL8548965 0.78 CHRM1 (0.36) CHRM2RAB9ACYP1A2LMNAUSP2
SCHEMBL9704536 0.76 RAB9A (0.42) CHRM2RAB9ACYP1A2LMNAUSP2
SCHEMBL8299610 0.76 MAPT (0.52) RAB9AALDH1A1CHRM5
SCHEMBL8299628 0.76 BRD4 (0.45) ALDH1A1
SCHEMBL8302193 0.76 RAB9A (0.46) CHRM2RAB9ACYP1A2LMNAUSP2

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
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 claimed
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 claimed
JP-3063276-A None JP disclosed
EP-0936221-A1 NOVEL 2,4-DIOXOPYRROLIDINE AND 2,4-DIOXOTETRAHYDROFURAN DERIVATIVES AND MEDICINES CONTAINING THE SAME AS THE ACTIVE INGREDIENT LEAD CHEMICAL COMPANY LTD. (JP) 1999-08-18 EP disclosed
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-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-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
JP-H0363276-A NEW 5,11-DIHYDRO-6H-DIPYRIDO-(3,2-B:2',3'-E)(1,4)DIAZEPIN-6-ONE, COMPSN. CONTAINING THE SAME FOR REVENTION OR MEDICAL TREATMENT OF AIDS BOEHRINGER INGELHEIM PHARMACEUT INC 1991-03-19 JP 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