SCHEMBL7209277

SCHEMBL7209277

Nc1nc(NCCc2ccccc2)nc2c1ncn2Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.80
ADORA1 P30542 9/20 0.80
ADORA2B P29275 6/20 0.80
TMIGD3 P0DMS9 5/20 0.80
PDE4A P27815 1/20 0.58
PDE4B Q07343 1/20 0.58
PDE4C Q08493 1/20 0.58
PDE4D Q08499 1/20 0.58
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
ADORA3 P0DMS8 3/20 0.54
CFTR P13569 1/20 0.53
APP P05067 1/20 0.52
CDK1 P06493 1/20 0.50
PNP P00491 1/20 0.50

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
SCHEMBL17802554 0.93 ADORA2A (0.78) ADORA2AADORA1ADORA2BTMIGD3PDE4A
SCHEMBL5161127 0.90 ADORA2A (0.85) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL5161160 0.89 ADORA1 (1.00) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL7212614 0.89 ADORA2A (0.72) ADORA2AADORA1ADORA2BTMIGD3PDE4A
SCHEMBL2060290 0.89 ADORA2A (0.65) ADORA2AADORA1ADORA2BTMIGD3PDE4A
SCHEMBL7204064 0.89 ADORA2A (0.76) ADORA2AADORA1ADORA2BTMIGD3PDE4A
SCHEMBL7206011 0.87 ADORA2A (0.73) ADORA2AADORA1ADORA2BTMIGD3PDE4A
SCHEMBL5162113 0.87 ADORA1 (1.00) ADORA2AADORA1ADORA2BTMIGD3ADORA3
SCHEMBL7209250 0.86 ADORA2A (0.69) ADORA2AADORA1ADORA2BTMIGD3PDE4A
SCHEMBL5160841 0.86 ADORA1 (0.74) ADORA2AADORA1ADORA2BTMIGD3ADORA3

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