SCHEMBL5744027

SCHEMBL5744027

CC(C)=CCNc1ncnc2[nH]c(O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3S)nc12

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNB2 O95067 2/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ CCNB1 P14635 2/20 0.36
▸ CCNB3 Q8WWL7 2/20 0.36
▸ ADORA2A P29274 6/20 0.34
▸ ADORA2B P29275 6/20 0.34
▸ HIF1A Q16665 1/20 0.31
▸ PAX8 Q06710 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
SCHEMBL3252067 0.77 CDK2 (0.34) CYP1A2CDK2CDK1
SCHEMBL14780256 0.68 CDK2 (0.53) CYP1A2CDK2CCNB2CDK1CCNB1
SCHEMBL5744033 0.67 CYP1A2 (0.44) CYP1A2CDK2CCNB2CDK1CCNB1
SCHEMBL14780097 0.67 CDK2 (0.52) CYP1A2CDK2CCNB2CDK1CCNB1
SCHEMBL14779614 0.65 CDK1 (0.52) CYP1A2CDK2CCNB2CDK1CCNB1
SCHEMBL14779332 0.65 CDK2 (0.50) CYP1A2CDK2CCNB2CDK1CCNB1
SCHEMBL14780248 0.63 CDK2 (0.48) CYP1A2CDK2CCNB2CDK1CCNB1
SCHEMBL2027216 0.60 CDK2 (0.63) CYP1A2CDK2CCNB2CDK1CCNB1
SCHEMBL3254318 0.60 ADORA2A (0.50) ADORA2AADORA2BHIF1APAX8
SCHEMBL14780258 0.59 CDK2 (0.61) CYP1A2CDK2CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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