SCHEMBL23809696

SCHEMBL23809696

OCC1O[C@@H](n2c3cnccc3c3c(-c4ccco4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 11/20 0.71
▸ CCNA2 P20248 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ CCNA1 P78396 1/20 0.53

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
SCHEMBL21369240 1.00 ADK (0.71) ADKCCNA2CDK2CCNA1
SCHEMBL21369236 0.84 ADK (0.60) ADK
SCHEMBL21368953 0.84 ADK (0.71) ADK
SCHEMBL21368891 0.83 ADK (0.73) ADKCCNA2CDK2CCNA1
SCHEMBL19837976 0.83 ADK (1.00) ADKCCNA2CDK2CCNA1
SCHEMBL21369238 0.82 ADK (0.48) ADKCCNA2CDK2CCNA1
SCHEMBL21369234 0.82 CDK5 (0.58) ADKCCNA2CDK2CCNA1
SCHEMBL21368954 0.81 ADK (0.47) ADK
SCHEMBL23809695 0.81 ADK (0.46) ADKCCNA2CDK2CCNA1
SCHEMBL20973132 0.81 ADK (0.69) ADKCCNA2CDK2CCNA1

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-3765475-B1 SUBSTITUTED PYRIDOPYRROLOPYRIMIDINE RIBONUCLEOSIDES FOR THERAPEUTIC USES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2021-09-15 — — EP disclosed
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