SCHEMBL3252067

SCHEMBL3252067

CC(C)=CCNc1nc(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]2S)nc2[nH]cnc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CDK1 P06493 3/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ PRKACG P22612 1/20 0.31
▸ PRKACB P22694 1/20 0.31
▸ MAPK3 P27361 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CCNA1 P78396 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
SCHEMBL5744027 0.77 CYP1A2 (0.36) CDK2CYP1A2CDK1
SCHEMBL18464405 0.65 TSHR (0.50) CDK2CYP1A2CDK1PRKACACCNA2
SCHEMBL2027216 0.63 CDK2 (0.63) CDK2CYP1A2CDK1PRKACACCNA2
SCHEMBL16146594 0.60 TSHR (0.52) CDK2CYP1A2CDK1PRKACACCNA2
SCHEMBL16146228 0.60 TSHR (0.52) CDK2CYP1A2CDK1PRKACACCNA2
Indole SCHEMBL8056227 0.59 CYP1A2 (0.45) CDK2CYP1A2CDK1PRKACA
SCHEMBL16146186 0.58 TSHR (0.53) CDK2CYP1A2CDK1PRKACACCNA2
SCHEMBL16146304 0.58 TSHR (0.53) CDK2CYP1A2CDK1PRKACACCNA2
Adenine SCHEMBL9737077 0.58 CDK2 (0.56) CDK2CYP1A2CDK1PRKACACCNA2
SCHEMBL5744033 0.58 CYP1A2 (0.44) CDK2CYP1A2CDK1

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