SCHEMBL3254318

SCHEMBL3254318

CC(C)=CCNc1ncn([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ncnc1-2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 9/20 0.50
▸ ADORA2B P29275 9/20 0.50
▸ HIF1A Q16665 2/20 0.45
▸ AHCY P23526 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ HSP90B1 P14625 1/20 0.41
▸ ADORA3 P0DMS8 2/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ ADORA1 P30542 1/20 0.40

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
SCHEMBL25173725 0.85 HIF1A (0.56) ADORA2AHIF1AADORA3PAX8ADORA1
SCHEMBL25173767 0.85 HIF1A (0.56) ADORA2AHIF1AADORA3PAX8ADORA1
SCHEMBL3247314 0.83 ADORA3 (0.57) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL9386366 0.83 ADORA3 (0.57) ADORA2AADORA2BAHCYADORA3ADORA1
SCHEMBL25176202 0.78 TSHR (0.52) ADORA2AHIF1AADORA3PAX8ADORA1
SCHEMBL25173559 0.78 TSHR (0.52) ADORA2AHIF1AADORA3PAX8ADORA1
SCHEMBL25176651 0.78 TSHR (0.52) ADORA2AHIF1AADORA3PAX8ADORA1
SCHEMBL30411592 0.70 SLC29A1 (0.50) ADORA2AADORA3ADORA1
SCHEMBL13382546 0.67 AHCY (0.74) ADORA2AADORA2BHIF1AAHCYTMEM97
SCHEMBL5967720 0.67 ADORA2A (1.00) ADORA2AADORA2BHIF1AAHCYTMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5994629-A Positive selection NOVARTIS AG (CH) 1999-11-30 — — US 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-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
Send feedback