SCHEMBL10380926

SCHEMBL10380926

COO[C@]1(OC)[C@H](O)[C@@H](CO)O[C@]1(n1cnc2c(N)ncnc21)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.44
ADORA2A P29274 3/20 0.40
PI4KA P42356 2/20 0.39
PI4K2B Q8TCG2 2/20 0.39
PI4K2A Q9BTU6 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
ADORA3 P0DMS8 4/20 0.38
SLC28A1 O00337 2/20 0.38
GMPS P49915 1/20 0.38
DPP4 P27487 1/20 0.38
MEN1 O00255 1/20 0.38
MAP3K7 O43318 1/20 0.38
SLC28A2 O43868 1/20 0.38
GAPDH P04406 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2B P29275 1/20 0.38
STAT6 P42226 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DOT1L Q8TEK3 1/20 0.38

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
SCHEMBL3813881 0.95 ADORA1 (0.46) ADORA1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL8970912 0.91 SLC29A1 (0.36) ADORA1ADORA2AADORA3ADORA2BSMN1; SMN2
SCHEMBL27446941 0.87 ADORA1 (0.45) ADORA1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL10481813 0.79 ADORA1 (0.39) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL10382369 0.78 ADORA1 (0.38) ADORA1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL3810729 0.77 HPGD (0.42) ADORA3MEN1KMT2ASMN1; SMN2
SCHEMBL5954790 0.77
SCHEMBL7812798 0.76 ADORA1 (0.40) ADORA1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL7029674 0.76 ADORA1 (0.44) ADORA1ADORA2API4KAPI4K2BPI4K2A
SCHEMBL9705275 0.76 ADORA3 (0.46) ADORA1ADORA2API4KAPI4K2BPI4K2A

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
EP-0155950-B1 OLIGONUCLEOTIDE POLYMERIC SUPPORT SYSTEM MOLECULAR BIOSYSTEMS INC (US) 1990-01-17 EP disclosed