SCHEMBL20547894

SCHEMBL20547894

CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)n3c(nc21)CCC3

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ADORA2A P29274 6/20 0.41
▸ ADORA2B P29275 4/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA1 P30542 2/20 0.40

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
SCHEMBL20547744 0.89 MEN1 (0.34) MEN1KMT2AHPGDADORA2AADORA2B
SCHEMBL20548082 0.82 TYMP (0.54) ADORA1
SCHEMBL29973359 0.77 HINT1 (0.55) HPGDADORA2AADORA2BADORA3
SCHEMBL20547719 0.77 STING1 (0.34) —
SCHEMBL31633414 0.76 TYMP (0.48) ADORA2AADORA3ADORA1
SCHEMBL20333315 0.75 ADORA3 (0.66) ADORA2AADORA2BADORA3ADORA1
SCHEMBL4730570 0.74 ADORA1 (0.53) MEN1KMT2AADORA2AADORA2BADORA3
SCHEMBL29884403 0.74 ADORA1 (0.53) MEN1KMT2AADORA2AADORA2BADORA3
SCHEMBL7893460 0.74 ADORA3 (0.68) MEN1KMT2AADORA2AADORA2BADORA3
SCHEMBL7893467 0.74 ADORA3 (0.68) 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
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