SCHEMBL7209368

SCHEMBL7209368

CC(C)CNc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 9/20 0.48
ADORA2A P29274 9/20 0.48
ADORA1 P30542 9/20 0.48
ADORA2B P29275 8/20 0.48
TLR7 Q9NYK1 7/20 0.44
ESR1 P03372 2/20 0.43
CCNT1 O60563 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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
SCHEMBL7206459 0.87 TMIGD3 (0.54) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL7211508 0.87 ADORA2A (0.59) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL7205539 0.86 ADORA2A (0.62) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL7205691 0.86 ADORA2A (0.45) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL7208663 0.85 TMIGD3 (0.57) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL7206499 0.84 TLR7 (0.47) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL7209428 0.84 ADORA2A (0.48) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL7207411 0.84 ADORA2A (0.61) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL2060224 0.84 ADORA2A (0.50) TMIGD3ADORA2AADORA1ADORA2BTLR7
SCHEMBL4474934 0.83 TLR7 (0.62) TMIGD3ADORA2AADORA1ADORA2BTLR7

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