SCHEMBL28947404

SCHEMBL28947404

O=c1[nH]cc(-c2cc(N3C[CH]C(F)(F)C3)c3ncc(F)n3n2)c(=O)[nH]1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 5/20 0.32

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
SCHEMBL23993071 0.88 NT5E (0.33) NT5E
SCHEMBL23994859 0.85 NT5E (0.32) NT5E
SCHEMBL23993286 0.85 JAK2 (0.33) NT5E
SCHEMBL23994567 0.84 MAPT (0.44) NT5E
SCHEMBL23995011 0.84 NT5E (0.36) NT5E
SCHEMBL23993340 0.82 NT5E (0.38) NT5E
SCHEMBL27084166 0.82 NT5E (0.38) NT5E
SCHEMBL23994621 0.82 NT5E (0.38) NT5E
SCHEMBL23993814 0.82 NT5E (0.35) NT5E
SCHEMBL23993714 0.80 NT5E (0.32) 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
CN-115698009-A CD73 inhibiting 2,4-dioxopyrimidine compounds 吉利德科学公司 2023-02-03 — — CN disclosed
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