SCHEMBL6683145

SCHEMBL6683145

Nc1ncnc2[nH]c(CCS)nc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 6/20 0.42
PI4K2B Q8TCG2 6/20 0.42
PI4K2A Q9BTU6 6/20 0.42
PI4KB Q9UBF8 6/20 0.42
NUDT1 P36639 2/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
RET P07949 1/20 0.35
XDH P47989 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
MAP4K4 O95819 3/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
PIK3CG P48736 1/20 0.32

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
SCHEMBL6029471 0.90 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL7211994 0.88 PI4KA (0.49) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL19686245 0.84 PI4KA (0.51) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL9668597 0.81 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL5481178 0.80 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5066797 0.80 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL16487356 0.79 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL27741346 0.79 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL669406 0.76 ADORA2A (0.40) PI4KAPI4K2BPI4K2API4KBNUDT1
SCHEMBL11909745 0.76 PI4KA (0.44) PI4KAPI4K2BPI4K2API4KBNUDT1

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
WO-2004069854-A1 NOVEL ANHYDROLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY ENANTA PHARMACEUTICALS. INC. (US) 2004-08-19 WO disclosed
EP-1313751-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY Basilea Pharmaceutica AG (CH) 2003-05-28 EP disclosed
WO-2002016380-A1 NEW MACROLIDES WITH ANTIBACTERIAL ACTIVITY BASILEA PHARMACEUTICA AG (CH) 2002-02-28 WO disclosed