SCHEMBL31725287

SCHEMBL31725287

Nc1ncnn2c(C3(O)O[C@H](COCc4ccccc4)[C@@H](F)[C@H]3OCc3ccccc3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 4/20 0.38
▸ HSPA5 P11021 2/20 0.36
▸ TNK2 Q07912 1/20 0.33
▸ RIPK1 Q13546 4/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ ATG7 O95352 1/20 0.31

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
SCHEMBL27086454 0.90 PDE2A (0.37) PDE2AHSPA5TNK2HTR1A
SCHEMBL31063739 0.90 PDE2A (0.37) PDE2AHSPA5TNK2HTR1A
SCHEMBL12243141 0.90 PDE2A (0.37) PDE2AHSPA5TNK2HTR1A
SCHEMBL12393373 0.90 PDE2A (0.37) PDE2AHSPA5TNK2HTR1A
SCHEMBL18636484 0.89 PDE2A (0.39) PDE2AHSPA5TNK2HTR1A
SCHEMBL29113115 0.89 PDE2A (0.39) PDE2AHSPA5TNK2HTR1A
SCHEMBL31725309 0.86 PDE2A (0.36) PDE2AHSPA5TNK2RIPK1
SCHEMBL13667906 0.86 HSPA5 (0.38) PDE2AHSPA5TNK2HTR1A
SCHEMBL23278052 0.83 HSPA5 (0.36) PDE2AHSPA5TNK2RIPK1
SCHEMBL23818461 0.82 TNK2 (0.34) HSPA5TNK2RIPK1

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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