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SCHEMBL29489846

SCHEMBL29489846

CCCCOc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OC(=O)OC(C)(C)C)[C@@H]1F

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 19/20 0.46
▸ PDE2A O00408 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
SCHEMBL22807145 1.00 NT5E (0.46) NT5EPDE2A
SCHEMBL22807146 1.00 NT5E (0.46) NT5EPDE2A
SCHEMBL22807254 0.90 NT5E (0.42) NT5EPDE2A
SCHEMBL22807184 0.87 NT5E (0.55) NT5EPDE2A
SCHEMBL19948285 0.86 NT5E (0.51) NT5EPDE2A
SCHEMBL22807253 0.86 NT5E (0.41) NT5EPDE2A
SCHEMBL30115161 0.86 NT5E (0.55) NT5EPDE2A
SCHEMBL22807286 0.86 ADORA2A (0.46) NT5EPDE2A
SCHEMBL22807212 0.86 ADORA2A (0.46) NT5EPDE2A
SCHEMBL29489883 0.86 NT5E (0.41) NT5EPDE2A

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-3986894-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2022-04-27 — — EP disclosed