SCHEMBL29397234

SCHEMBL29397234

CSc1ncnn2c(C3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3F)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.43
▸ HTR1A P08908 1/20 0.38
▸ PTPN1 P18031 6/20 0.36
▸ CDC25B P30305 6/20 0.36
▸ TACR2 P21452 2/20 0.34
▸ HSPA5 P11021 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ PTPN2 P17706 2/20 0.33
▸ PTPN6 P29350 2/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GJB2 P29033 1/20 0.33
▸ SSTR1 P30872 1/20 0.33
▸ SSTR2 P30874 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ SSTR3 P32745 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL24557909 1.00 PDE2A (0.43) PDE2AHTR1APTPN1CDC25BTACR2
SCHEMBL17106842 0.93 HTR1A (0.41) PDE2AHTR1APTPN1CDC25BTACR2
SCHEMBL17106843 0.93 HTR1A (0.41) PDE2AHTR1APTPN1CDC25BTACR2
SCHEMBL18787319 0.87 PDE2A (0.50) PDE2AHTR1APTPN1CDC25BHSPA5
SCHEMBL18788248 0.87 PDE2A (0.44) PDE2AHTR1APTPN1CDC25BTACR2
SCHEMBL29397763 0.85 PDE2A (0.42) PDE2AHTR1APTPN1CDC25BBCHE
SCHEMBL22569895 0.85 PDE2A (0.42) PDE2AHTR1APTPN1CDC25BBCHE
SCHEMBL29569250 0.82 PDE2A (0.34) PDE2ABCHE
SCHEMBL22569894 0.82 HRH4 (0.34) PDE2AHSPA5
SCHEMBL17131352 0.82 SLC29A1 (0.31) —

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-3956341-A1 CD73 INHIBITORS Bioardis LLC (US) 2022-02-23 — — EP disclosed
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