SCHEMBL7205096

SCHEMBL7205096

CC(C)CNc1nc(N)c2ncn(Cc3ccccc3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.61
ADORA1 P30542 5/20 0.61
TMIGD3 P0DMS9 4/20 0.61
ADORA2B P29275 2/20 0.60
PDE4A P27815 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4C Q08493 1/20 0.56
PDE4D Q08499 1/20 0.56
FLT3 P36888 1/20 0.55
PI4KA P42356 1/20 0.53
PI4K2B Q8TCG2 1/20 0.53
PI4K2A Q9BTU6 1/20 0.53
PI4KB Q9UBF8 1/20 0.53
CTSL P07711 2/20 0.48
CDK1 P06493 1/20 0.48
PNP P00491 1/20 0.48
YTHDC1 Q96MU7 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 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
SCHEMBL7209250 0.87 ADORA2A (0.69) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL7204064 0.87 ADORA2A (0.76) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL7208388 0.86 PDE4A (0.58) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL7212614 0.85 ADORA2A (0.72) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL7204756 0.84 PDE4A (0.65) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL7209489 0.84 ADORA2A (0.61) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL7209277 0.83 ADORA2A (0.80) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL7206011 0.83 ADORA2A (0.73) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL7204220 0.83 PDE4A (0.58) ADORA2AADORA1TMIGD3ADORA2BPDE4A
SCHEMBL2060290 0.82 ADORA2A (0.65) ADORA2AADORA1TMIGD3ADORA2BPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1035123-B1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMA (JP) 2003-08-20 EP disclosed
US-6329381-B1 INTERFERONS, VIRICIDES AND ANTICARCINOGENIC AGENTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1035123-A1 NOVEL HETEROCYCLIC COMPOUNDS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP disclosed