SCHEMBL11040343

SCHEMBL11040343

CC1(C)[C@]2(O)[C@@H](CN)O[C@@H](n3cnc4c(N)ncnc43)[C@]12O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.58
ADORA3 P0DMS8 5/20 0.52
PI4KA P42356 2/20 0.51
PI4K2B Q8TCG2 2/20 0.51
PI4K2A Q9BTU6 2/20 0.51
PI4KB Q9UBF8 2/20 0.51
ADORA2B P29275 2/20 0.46
DPP4 P27487 1/20 0.46
MEN1 O00255 1/20 0.46
SLC28A1 O00337 1/20 0.46
MAP3K7 O43318 1/20 0.46
SLC28A2 O43868 1/20 0.46
GAPDH P04406 1/20 0.46
MAPK1 P28482 1/20 0.46
ADORA1 P30542 1/20 0.46
STAT6 P42226 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DOT1L Q8TEK3 1/20 0.46
SLC29A1 Q99808 1/20 0.46

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
SCHEMBL19692161 1.00 ADORA2A (0.58) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL28156591 0.91 ADORA2A (0.64) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL1078828 0.91 ADORA2A (0.64) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL8943715 0.90 ADORA2A (0.57) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL5554234 0.89 ADORA2A (0.56) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL9054202 0.88 ADORA2A (0.55) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL8943868 0.87 ADORA2A (0.53) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL8943541 0.85 ADORA2A (0.55) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL8943533 0.85 ADORA2A (0.53) ADORA2AADORA3PI4KAPI4K2BPI4K2A
SCHEMBL25408738 0.84 ADORA2A (0.52) ADORA2AADORA3PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3266784-A1 PROTEIN ARGININE N-METHYLTRANSFERASES INHIBITORS AND USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2018-01-10 EP disclosed
WO-2017211958-A1 PROTEIN ARGININE N-METHYLTRANSFERASES INHIBITORS AND USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2017-12-14 WO disclosed
EP-0037310-B1 SUBSTITUTED DEOXYADENOSINE DERIVATIVES MERRELL TORAUDE ET COMPAGNIE (FR) 1984-05-09 EP disclosed
US-4374128-A TREATING RAPID CELL PROLIFERATION MERRELL TORAUDE ET COMPAGNIE (FR) 1983-02-15 US disclosed
EP-0037310-A1 Substituted deoxyadenosine derivatives MERRELL TORAUDE ET COMPAGNIE (FR) 1981-10-07 EP disclosed