SCHEMBL3252258

SCHEMBL3252258

O=C(Nn1cnc(NCc2ccccc2)c2ncnc1-2)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.47
▸ TSHR P16473 2/20 0.45
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ AHCY P23526 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SLC29A1 Q99808 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9386366 0.77 ADORA3 (0.57) ADORA3TSHRADORA2AADORA2BADORA1
SCHEMBL3247314 0.77 ADORA3 (0.57) ADORA3TSHRADORA2AADORA2BADORA1
SCHEMBL9386714 0.76 ADORA3 (0.43) ADORA3TSHRADORA2AADORA2BADORA1
SCHEMBL9567830 0.72 ADORA3 (0.41) ADORA3TSHRADORA2AADORA2BADORA1
SCHEMBL218009 0.71 ADORA3 (0.52) ADORA3TP53SLC29A1TDP1
SCHEMBL7998657 0.67 CDK1 (0.59) TSHRADORA2AADORA1TP53TDP1
SCHEMBL29762124 0.65 ADORA3 (0.83) ADORA3TSHRADORA2AADORA2BADORA1
SCHEMBL29762727 0.65 ADORA3 (0.83) ADORA3TSHRADORA2AADORA2BADORA1
SCHEMBL25173722 0.64 SLC29A1 (0.57) ADORA3ADORA2AADORA1TP53SLC29A1
SCHEMBL3253858 0.64 ADORA3 (0.81) ADORA3TSHRADORA2AADORA2BTP53

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601092-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD Novartis AG (CH) 1994-06-15 — — EP claimed
WO-1993005163-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD SANDOZ LTD. (CH) 1993-03-18 — — WO claimed
EP-0530129-A1 Method for the selection of genetically transformed cells and compounds for use in the method SANDOZ LTD. (CH) 1993-03-03 — — EP claimed
EP-0896063-B9 Method for the selection of genetically transformed cells and compounds for use in the method SYNGENTA PARTICIPATIONS AG (CH) 2010-05-26 — — EP disclosed
EP-0896063-B1 Method for the selection of genetically transformed cells and compounds for use in the method SYNGENTA PARTICIPATIONS AG (CH) 2009-09-23 — — EP disclosed
EP-0601092-B2 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD SYNGENTA PARTICIPATIONS AG (CH) 2006-11-15 — — EP disclosed
EP-0601092-B1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD NOVARTIS AG (CH) 1999-07-07 — — EP disclosed
EP-0896063-A2 Method for the selection of genetically transformed cells and compounds for use in the method Novartis AG (CH) 1999-02-10 — — EP disclosed
EP-0601092-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD Novartis AG (CH) 1994-06-15 — — EP disclosed
WO-1993005163-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD SANDOZ LTD. (CH) 1993-03-18 — — WO disclosed
EP-0530129-A1 Method for the selection of genetically transformed cells and compounds for use in the method SANDOZ LTD. (CH) 1993-03-03 — — EP disclosed
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