SCHEMBL7326739

SCHEMBL7326739

CCCCn1c(=O)[nH]c(=O)c2c1ncn2CC(C)=O

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
ALDH1A1 P00352 1/20 0.77
BRD4 O60885 5/20 0.75
BRD2 P25440 2/20 0.75
BRD3 Q15059 2/20 0.75
BRDT Q58F21 2/20 0.75
PDE4A P27815 7/20 0.71
PDE4B Q07343 7/20 0.71
PDE4C Q08493 7/20 0.71
PDE4D Q08499 7/20 0.71
ADORA2A P29274 6/20 0.71
ADORA2B P29275 1/20 0.68

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
SCHEMBL11401591 0.88 MEN1 (0.81) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL7457891 0.87 MEN1 (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11394726 0.87 MEN1 (0.80) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11395669 0.86 MEN1 (0.78) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11399416 0.86 MEN1 (0.78) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL19066317 0.86 BRD4 (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11399596 0.85 MEN1 (0.95) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL10695216 0.82 MEN1 (0.75) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL7999341 0.82 MAPK1 (0.59) MEN1KMT2AALDH1A1BRD4BRD2
Denbufylline SCHEMBL7299526 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485495-A1 USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA Beecham Group p.l.c. (GB) 1992-05-20 EP disclosed
WO-1991001730-A2 USE OF XANTHINE-DERIVATIVES AS INHIBITORS OF INDUCED BLOOD EOSINOPHILIA BEECHAM GROUP PLC (GB) 1991-02-21 WO disclosed
EP-0260127-A2 Xanthine derivatives, their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-03-16 EP disclosed
US-4657910-A Treatment of cerebrovascular disorders and/or disorders associated with cerebral senility BEECHAM-WUELFING GMBH & CO. KG (DE) 1987-04-14 US disclosed
EP-0042706-B1 XANTHINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND A PROCESS FOR THEIR PREPARATION BEECHAM - WUELFING GmbH & Co. KG (DE) 1985-12-27 EP disclosed
EP-0157098-A1 Xanthine derivatives, pharmaceuticals compositions containing them and a process for their preparation Beecham Wuelfing GmbH & Co KG (DE) 1985-10-09 EP disclosed
US-4372959-A TREATMENT OF PERIPHERAL VASCULAR DISEASE BEECHAM-WULFING GMBH & CO. KG (DE) 1983-02-08 US disclosed
EP-0042706-A2 Xanthine derivatives, pharmaceutical compositions containing them and a process for their preparation BEECHAM - WUELFING GmbH & Co. KG (DE) 1981-12-30 EP disclosed