SCHEMBL21874997

SCHEMBL21874997

OC[C@@]1(n2cnc3c(NCc4ccc(O)cc4O)ncnc32)OC[C@@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.42
▸ CCNB2 O95067 3/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CCNB1 P14635 3/20 0.40
▸ CCNB3 Q8WWL7 3/20 0.40
▸ ADORA3 P0DMS8 8/20 0.40
▸ ADORA2A P29274 5/20 0.40
▸ GMPS P49915 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ ADORA2B P29275 1/20 0.37

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
SCHEMBL21875000 0.79 ADORA3 (0.40) PAX8ADORA3ADORA2AGMPSADORA1
SCHEMBL21874995 0.79 CDK1 (0.42) CDK1ADORA3ADORA2AADORA1
SCHEMBL21875003 0.78 CCNB2 (0.49) PAX8CCNB2CDK1CCNB1CCNB3
SCHEMBL19583021 0.73 SLC29A1 (0.63) PAX8PRKAG1PRKAA1PRKAB1
SCHEMBL2298662 0.73 GMPS (0.63) ADORA3ADORA2AGMPSADORA2B
SCHEMBL17825930 0.71 PAX8 (0.80) PAX8ADORA3ADORA2APRKAG1PRKAA1
SCHEMBL17824404 0.71 PAX8 (0.80) PAX8ADORA3ADORA2APRKAG1PRKAA1
SCHEMBL640682 0.70 CDK1 (0.51) PAX8CCNB2CDK1CCNB1CCNB3
SCHEMBL15570013 0.70 KDM4E (0.45) CDK1ADORA3
SCHEMBL25425994 0.68 GMPS (0.35) ADORA3GMPSADORA1

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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