SCHEMBL5173890

SCHEMBL5173890

CCCCn1c(=O)[nH]c2c(Cl)nc(N)nc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 8/20 0.53
HSP90B1 P14625 6/20 0.53
HSP90AA1 P07900 5/20 0.51
PDE4A P27815 1/20 0.50
ADORA2A P29274 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
TLR7 Q9NYK1 9/20 0.46
MAPT P10636 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL23629388 0.86 TRAP1 (0.53) TRAP1HSP90B1HSP90AA1ADORA2AALDH1A1
SCHEMBL8673254 0.84 TRAP1 (0.52) TRAP1HSP90B1HSP90AA1ADORA2ATLR7
SCHEMBL872294 0.82 TRAP1 (0.55) TRAP1HSP90B1HSP90AA1ADORA2ATLR7
SCHEMBL30012246 0.77 KDM4E (0.45) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL23392966 0.77 KDM4E (0.45) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL4551932 0.75 TRAP1 (0.54) TRAP1HSP90B1HSP90AA1ADORA2A
SCHEMBL3178085 0.75 ADORA2A (0.58) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL22560008 0.74 PNP (0.61) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL23991310 0.73 TLR7 (0.46) TRAP1HSP90B1HSP90AA1PDE4AADORA2A
SCHEMBL2473169 0.71 ADORA2A (0.53) PDE4AADORA2APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0684236-B2 Process of preparation of N-(2-Amino-4,6-dichloropyrimidin-5-yl)formamide LONZA AG (CH) 2007-12-26 EP disclosed
EP-0684236-B1 N-(2-Amino-4,6-dichloropyrimidin-5-yl)formamide and process for its production LONZA AG (CH) 1998-06-24 EP disclosed
US-5744601-A N-(2-amino-4, 6-dichlopyrimidine-5-yl) formanide, and a process for its preparation LONZA AG (CH) 1998-04-28 US disclosed
US-5693800-A N-(2-amino-4,6-dichloropyrimidine-5-yl) formamide and a process for its preparation LONZA AG (CH) 1997-12-02 US disclosed
US-5663340-A N-(2-amino-4,6-dichloropyrimidine-5-yl)formamide, and a process for its preparation LONZA AG (CH) 1997-09-02 US disclosed
US-5583226-A 4,6-dichloropyrimidine and related compounds LONZA AG (CH) 1996-12-10 US disclosed
EP-0684236-A2 N-(2-Amino-4,6-dichloropyrimidin-5-yl)formamide and process for its production LONZA AG (CH) 1995-11-29 EP disclosed