SCHEMBL8560623

SCHEMBL8560623

CCn1c2c(nc(C3CCCC3)n2Cc2ccccc2)c(=O)n2nc(CO)nc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
ADORA3 P0DMS8 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE5A O76074 2/20 0.38
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ADORA1 P30542 3/20 0.36
ADORA2A P29274 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
HPGD P15428 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35

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
SCHEMBL7001362 0.83 KMT2A (0.48) KMT2AADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL7666397 0.82 KMT2A (0.40) KMT2AADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL7661646 0.78 TLR7 (0.41) KMT2AADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL7671571 0.77 TLR7 (0.45) KMT2AADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL7656794 0.76 PDE4B (0.40) KMT2AADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL6999063 0.74 KMT2A (0.48) KMT2AADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL7003070 0.74 PDE5A (0.48) KMT2AADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL6996208 0.73 PDE5A (0.47) KMT2AADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL6996654 0.73 KMT2A (0.46) KMT2AADORA3NPC1RAB9ASMN1; SMN2
SCHEMBL7003426 0.72 KMT2A (0.46) KMT2AADORA3NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0880524-A1 NEW TRIAZOLOPURINES, METHOD OF PREPARING THEM AND THEIR USE AS DRUGS Boehringer Ingelheim Pharma KG (DE) 1998-12-02 EP disclosed
WO-1998003511-A1 NEW TRIAZOLOPURINES, METHOD OF PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA KG (DE) 1998-01-29 WO disclosed