SCHEMBL10695216

SCHEMBL10695216

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

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
ALDH1A1 P00352 1/20 0.75
BRD4 O60885 4/20 0.73
BRD2 P25440 2/20 0.73
BRD3 Q15059 2/20 0.73
BRDT Q58F21 2/20 0.73
PDE4A P27815 6/20 0.70
ADORA2A P29274 6/20 0.70
PDE4B Q07343 6/20 0.70
PDE4C Q08493 6/20 0.70
PDE4D Q08499 6/20 0.70
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADORA2B P29275 1/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 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
SCHEMBL7457891 0.86 MEN1 (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL19066317 0.85 BRD4 (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11399596 0.84 MEN1 (0.95) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL10990737 0.83 PDE4A (0.78) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL7326739 0.82 MEN1 (0.77) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL5606734 0.81 PDE4A (0.67) ALDH1A1PDE4AADORA2APDE4BPDE4C
SCHEMBL10696881 0.81 CNOT7 (0.53) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL23731042 0.80 ALDH1A1 (0.70) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11401591 0.80 MEN1 (0.81) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL7031729 0.80 MEN1 (0.87) MEN1KMT2AALDH1A1BRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260127-A2 Xanthine derivatives, their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-03-16 EP disclosed