SCHEMBL21875000

SCHEMBL21875000

OC[C@@]1(n2cnc3c(NCc4ccc(Br)o4)ncnc32)OC[C@@H](O)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.40
▸ ADORA2A P29274 7/20 0.40
▸ ADORA1 P30542 5/20 0.40
▸ GMPS P49915 1/20 0.39
▸ TP53 P04637 3/20 0.37
▸ SLC29A1 Q99808 3/20 0.37
▸ PAX8 Q06710 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ADORA2B P29275 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL21874995 0.79 CDK1 (0.42) ADORA3ADORA2AADORA1TP53SLC29A1
SCHEMBL21874997 0.79 PAX8 (0.42) ADORA3ADORA2AADORA1GMPSPAX8
SCHEMBL21875003 0.77 CCNB2 (0.49) ADORA3ADORA2AADORA1PAX8ADORA2B
SCHEMBL2298662 0.74 GMPS (0.63) ADORA3ADORA2AGMPSADORA2B
SCHEMBL19583138 0.73 SLC29A1 (0.64) ADORA3TP53SLC29A1PAX8SMN1; SMN2
SCHEMBL15570013 0.72 KDM4E (0.45) ADORA3TP53SLC29A1SMN1; SMN2LMNA
SCHEMBL19583070 0.70 SLC29A1 (0.72) ADORA3ADORA2AADORA1TP53SLC29A1
SCHEMBL17825994 0.70 SLC29A1 (0.72) ADORA3ADORA2AADORA1TP53SLC29A1
SCHEMBL25425994 0.69 GMPS (0.35) ADORA3ADORA1GMPSSLC29A1
SCHEMBL4575806 0.69 GMPS (0.35) ADORA3ADORA1GMPSSLC29A1

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-3229772-B1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIV PALACKEHO (CZ) 2020-04-29 — — EP disclosed
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