SCHEMBL7671571

SCHEMBL7671571

CCn1c(=O)c2nc(C3CCCC3)n(Cc3ccccc3)c2n2nc(COCc3ccc(OC)cc3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.45
POLB P06746 3/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
BLM P54132 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 1/20 0.40
PDE5A O76074 3/20 0.39
NPC1 O15118 3/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL7668666 0.88 POLB (0.47) TLR7POLBMAPK1NPSR1BLM
SCHEMBL7661646 0.87 TLR7 (0.41) TLR7POLBMAPK1NPSR1BLM
SCHEMBL7666397 0.82 KMT2A (0.40) TLR7PDE5ANPC1SMN1; SMN2RAB9A
SCHEMBL8560623 0.77 KMT2A (0.41) TLR7PDE5ANPC1SMN1; SMN2RAB9A
SCHEMBL7656794 0.76 PDE4B (0.40) TLR7PDE5ANPC1TSHRSMN1; SMN2
SCHEMBL7662109 0.75 ADORA1 (0.48) TSHRLMNAKMT2AMEN1ADORA3
SCHEMBL7006028 0.74 KMT2A (0.45) POLBMAPK1NPSR1BLMCTDSP1
SCHEMBL8567698 0.73 ADORA1 (0.48) TSHRLMNAKMT2AMEN1ADORA3
SCHEMBL7003070 0.71 PDE5A (0.48) POLBMAPK1NPSR1BLMCTDSP1
SCHEMBL7003073 0.71 PDE1B (0.36) POLBPDE5AATMLMNAKMT2A

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
US-6492377-B1 Imidazotriazolopyrimidines with adenosine-antagonistic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed