SCHEMBL23337014

SCHEMBL23337014

COCC(COCc1nn[nH]n1)(OC[C@@H]1C[C@@H](O)[C@H](n2ncc3c(NC4CCCC4)nc(Cl)nc32)O1)P(=O)(O)O

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NT5E P21589 20/20 0.72

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
SCHEMBL23337258 0.93 NT5E (0.64) NT5E
SCHEMBL23294969 0.89 NT5E (0.76) NT5E
SCHEMBL23294970 0.89 NT5E (0.76) NT5E
SCHEMBL23295937 0.89 NT5E (0.76) NT5E
SCHEMBL23329461 0.89 NT5E (0.57) NT5E
SCHEMBL23329099 0.89 NT5E (0.57) NT5E
SCHEMBL26428760 0.86 NT5E (0.70) NT5E
SCHEMBL26430146 0.86 NT5E (0.70) NT5E
SCHEMBL23862137 0.85 NT5E (0.69) NT5E
SCHEMBL23295042 0.85 NT5E (0.70) NT5E

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-2021087136-A1 CD73 INHIBITORS ORIC PHARMACEUTICALS, INC. (US) 2021-05-06 WO disclosed