SCHEMBL17804432

SCHEMBL17804432

CO[C@H](CO)CCn1cnc2c(N)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.66
ADORA1 P30542 4/20 0.66
ADORA2B P29275 1/20 0.58
AHCY P23526 7/20 0.56
NSD3 Q9BZ95 1/20 0.54
PI4KA P42356 2/20 0.54
PI4K2B Q8TCG2 2/20 0.54
PI4K2A Q9BTU6 2/20 0.54
PI4KB Q9UBF8 2/20 0.54
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL22142773 1.00 ADORA2A (0.66) ADORA2AADORA1ADORA2BAHCYNSD3
SCHEMBL2152705 0.93 ADORA2A (0.64) ADORA2AADORA1ADORA2BAHCYNSD3
SCHEMBL21999215 0.87 AHCY (0.67) ADORA2AADORA1ADORA2BAHCYPI4KA
SCHEMBL9703479 0.87 AHCY (0.67) ADORA2AADORA1ADORA2BAHCYPI4KA
SCHEMBL22460236 0.86 ADORA2A (0.57) ADORA2AADORA1ADORA2BNSD3PI4KA
SCHEMBL20621738 0.85 ADORA2A (0.56) ADORA2AADORA1ADORA2BNSD3PI4KA
SCHEMBL985053 0.83 ADORA2A (0.57) ADORA2AADORA1ADORA2BAHCYNSD3
SCHEMBL986231 0.83 ADORA2A (0.56) ADORA2AADORA1ADORA2BAHCYNSD3
SCHEMBL4088282 0.82 ADORA2A (0.70) ADORA2AADORA1ADORA2BAHCYPI4KA
SCHEMBL22193338 0.82 ADORA2A (0.69) ADORA2AADORA1ADORA2BAHCYNSD3

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-3028707-A1 METHODS FOR TREATING OR PREVENTING OPHTHALMOLOGICAL DISEASES Ophthotech Corporation (US) 2016-06-08 EP disclosed