SCHEMBL24539016

SCHEMBL24539016

Nc1ncnn2c([C@@]3(O)O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.38
▸ HSPA5 P11021 3/20 0.38
▸ HTR1A P08908 1/20 0.35
▸ PTPN1 P18031 7/20 0.33
▸ CDC25B P30305 6/20 0.33
▸ GJB2 P29033 1/20 0.33
▸ TNK2 Q07912 1/20 0.33
▸ ATG7 O95352 1/20 0.32
▸ PTPN2 P17706 3/20 0.32
▸ PTPN11 Q06124 3/20 0.32
▸ PTPN6 P29350 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 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
SCHEMBL20434838 1.00 PDE2A (0.38) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL30592031 1.00 PDE2A (0.38) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL18490453 1.00 PDE2A (0.38) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL21759078 1.00 PDE2A (0.38) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL21758913 0.88 PDE2A (0.37) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL17106669 0.87 PTPN1 (0.34) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL19412708 0.87 PTPN1 (0.34) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL31063739 0.86 PDE2A (0.37) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL12393373 0.86 PDE2A (0.37) PDE2AHSPA5HTR1APTPN1CDC25B
SCHEMBL27086454 0.86 PDE2A (0.37) PDE2AHSPA5HTR1APTPN1CDC25B

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-2022127914-A1 NUCLEOSIDE-THIODIPHOSPHATE-HEPTOSE COMPOUNDS FOR TREATING CONDITIONS ASSOCIATED WITH ALPK1 ACTIVITY PYROTECH (BEIJING) BIOTECHNOLOGY CO., LTD. (CN) 2022-06-23 — — WO disclosed
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