SCHEMBL26223203

SCHEMBL26223203

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 12/20 0.40
▸ ADORA1 P30542 11/20 0.40
▸ ADORA2B P29275 9/20 0.40
▸ ADORA2A P29274 6/20 0.40
▸ NT5E P21589 1/20 0.36
▸ HINT1 P49773 1/20 0.34
▸ ABCB1 P08183 1/20 0.34

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
SCHEMBL23992563 0.91 ADORA3 (0.41) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL23992605 0.84 HINT1 (0.43) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL23992609 0.77 ADORA3 (0.41) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL19187636 0.76 ADORA3 (0.32) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL26237262 0.76 NT5E (0.43) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL23992559 0.75 ADORA3 (0.40) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL20437027 0.75 ADORA3 (0.40) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL24000001 0.75 ADORA3 (0.40) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL26237995 0.74 ADORA3 (0.40) ADORA3ADORA1ADORA2BADORA2ANT5E
SCHEMBL19187113 0.74 ADORA3 (0.31) ADORA3ADORA1ADORA2BADORA2AHINT1

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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