SCHEMBL20547587

SCHEMBL20547587

CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)n3cc[nH]c3nc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ ADORA2A P29274 5/20 0.46
▸ ADORA2B P29275 2/20 0.46
▸ ADORA3 P0DMS8 5/20 0.44
▸ ADORA1 P30542 4/20 0.44
▸ PAX8 Q06710 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL4858272 0.88 HPGD (0.59) HPGDADORA2AADORA2BADORA3PAX8
SCHEMBL20547890 0.86 ADORA2A (0.55) HPGDADORA2AADORA2BADORA3ADORA1
SCHEMBL22577530 0.84 HPGD (0.48) HPGDADORA2AADORA2BADORA3ADORA1
SCHEMBL20547896 0.81 TYMP (0.61) ADORA1
SCHEMBL20547959 0.81 HPGD (0.35) HPGDADORA2AADORA2BADORA3ADORA1
SCHEMBL22577553 0.80 HPGD (0.38) HPGDADORA2AADORA2BADORA3ADORA1
SCHEMBL18512868 0.80 ADORA2A (0.54) MEN1KMT2AADORA2AADORA2BADORA3
SCHEMBL20580087 0.80 ADORA2A (0.54) MEN1KMT2AADORA2AADORA2BADORA3
SCHEMBL1042637 0.80 ADORA2A (0.54) MEN1KMT2AADORA2AADORA2BADORA3
SCHEMBL14917346 0.80 ADORA2A (0.54) MEN1KMT2AADORA2AADORA2BADORA3

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
Send feedback