SCHEMBL26237262

SCHEMBL26237262

CNc1nc(N)nc2c1ncn2C1OC(COP(=O)(NCC(=O)OC(C)C)Oc2ccccc2)C[C@@H]1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 6/20 0.43
▸ ADORA3 P0DMS8 7/20 0.40
▸ ADORA1 P30542 6/20 0.40
▸ ADORA2B P29275 5/20 0.40
▸ ADORA2A P29274 3/20 0.39

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
SCHEMBL20437027 0.93 ADORA3 (0.40) NT5EADORA3ADORA1ADORA2BADORA2A
SCHEMBL24000001 0.93 ADORA3 (0.40) NT5EADORA3ADORA1ADORA2BADORA2A
SCHEMBL23992559 0.93 ADORA3 (0.40) NT5EADORA3ADORA1ADORA2BADORA2A
SCHEMBL26237995 0.92 ADORA3 (0.40) NT5EADORA3ADORA1ADORA2BADORA2A
SCHEMBL23760816 0.90 NT5E (0.43) NT5EADORA3ADORA1ADORA2BADORA2A
SCHEMBL24081938 0.90 NT5E (0.43) NT5EADORA3ADORA1ADORA2BADORA2A
SCHEMBL26809129 0.88 NT5E (0.52) NT5EADORA3ADORA1ADORA2BADORA2A
SCHEMBL21920756 0.85 ADORA3 (0.46) NT5EADORA3ADORA1ADORA2BADORA2A
SCHEMBL20437223 0.85 ADORA3 (0.46) NT5EADORA3ADORA1ADORA2BADORA2A
SCHEMBL23992572 0.85 HINT1 (0.42) NT5EADORA3ADORA1ADORA2BADORA2A

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-4234565-A2 HIGHLY ACTIVE COMPOUNDS AGAINST COVID-19 ATEA Pharmaceuticals, Inc. (US) 2023-08-30 — — EP disclosed
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