SCHEMBL20548168

SCHEMBL20548168

Cc1cn2c(=O)c3ncn([C@@H]4O[C@H](CO)[C@@H](O[PH](=O)O)[C@H]4O[Si](C)(C)C(C)(C)C)c3nc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.37
▸ IMPDH2 P12268 1/20 0.33
▸ IMPDH1 P20839 1/20 0.33
▸ ADORA2A P29274 5/20 0.33
▸ ADORA2B P29275 3/20 0.33
▸ ADORA3 P0DMS8 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ PAX8 Q06710 1/20 0.33

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
SCHEMBL20547959 0.87 HPGD (0.35) HPGDADORA2AADORA2BADORA3ADORA1
SCHEMBL20547744 0.79 MEN1 (0.34) HPGDADORA2AADORA2BADORA3
SCHEMBL24686969 0.78 HPGD (0.52) HPGD
SCHEMBL29386795 0.78 HPGD (0.59) HPGDADORA2AADORA2BADORA3ADORA1
SCHEMBL18992534 0.76 KDM4E (0.52) HPGDIMPDH2IMPDH1
SCHEMBL22434942 0.76 KDM4E (0.52) HPGDIMPDH2IMPDH1
Ammonia Solution, Strong SCHEMBL29779801 0.76 KDM4E (0.52) HPGDIMPDH2IMPDH1
SCHEMBL20548086 0.75 TYMP (0.45) HPGDADORA3ADORA1PAX8
SCHEMBL23487473 0.75 TYMP (0.45) HPGDADORA3ADORA1PAX8
SCHEMBL20547914 0.74 ADORA2A (0.38) HPGDADORA2AADORA2BADORA3ADORA1

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
WO-2018198084-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS WITH TRICYCLIC NUCLEOBASES LUPIN LIMITED (IN) 2018-11-01 — — WO disclosed
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