SCHEMBL31725309

SCHEMBL31725309

N#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COCc2ccccc2)[C@@H](F)[C@H]1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.36
▸ TMPRSS2 O15393 1/20 0.34
▸ HSPA5 P11021 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.30
▸ RIPK1 Q13546 1/20 0.30
▸ TNK2 Q07912 1/20 0.30

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
SCHEMBL29727834 0.91 PDE2A (0.35) PDE2ATMPRSS2HSPA5
SCHEMBL20477154 0.91 PDE2A (0.35) PDE2ATMPRSS2HSPA5
SCHEMBL27086511 0.91 PDE2A (0.35) PDE2ATMPRSS2HSPA5
SCHEMBL12243178 0.91 PDE2A (0.35) PDE2ATMPRSS2HSPA5
SCHEMBL17712276 0.91 PDE2A (0.35) PDE2ATMPRSS2HSPA5
SCHEMBL20553048 0.91 PDE2A (0.35) PDE2ATMPRSS2HSPA5
SCHEMBL24158032 0.89 PDE2A (0.38) PDE2ATMPRSS2HSPA5
SCHEMBL22646505 0.89 PDE2A (0.38) PDE2ATMPRSS2HSPA5
SCHEMBL31725287 0.86 PDE2A (0.38) PDE2AHSPA5RIPK1TNK2
SCHEMBL14817042 0.86 HSPA5 (0.35) PDE2ATMPRSS2HSPA5TNK2

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-2025235664-A1 PURINE NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2025-11-13 — — WO disclosed
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