SCHEMBL717431

SCHEMBL717431

C=C(C)CCc1nc(N)c2[nH]cnc2n1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.39
HPRT1 P00492 1/20 0.38
FBP1 P09467 3/20 0.37
TRPM2 O94759 3/20 0.37
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
DNPH1 O43598 1/20 0.37
PRKAB2 O43741 1/20 0.37
LDHA P00338 1/20 0.37
ADRB2 P07550 1/20 0.37
SRC P12931 1/20 0.37
ADORA1 P30542 1/20 0.37
P2RY2 P41231 1/20 0.37
P2RY1 P47900 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PDE4D Q08499 1/20 0.37
KCNH2 Q12809 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL15167310 0.93 TRPM2 (0.41) TRPM2P2RY1P2RY11MACROD2SIRT6
SCHEMBL15166956 0.92 TRPM2 (0.43) TRPM2P2RY1P2RY11MACROD2SIRT6
Ribose (Furanose) SCHEMBL17275115 0.86 MGMT (0.38) ADORA1CDK1CCNB1MGMTCCNA2
SCHEMBL1024249 0.83 ADORA1 (0.35) ADORA1CDK1CCNB1MGMTCCNA2
SCHEMBL4291802 0.83 CA5A (0.52) CA5AHPRT1FBP1TRPM2TAS1R3
Phosphoric Acid SCHEMBL214567 0.82 MGMT (0.44) CDK1CCNB1MGMTCCNA2CDK2
Adenine SCHEMBL3921122 0.79 TRPM2 (0.49) CA5AHPRT1FBP1TRPM2TAS1R3
Adenine SCHEMBL11136514 0.79 TRPM2 (0.49) CA5AHPRT1FBP1TRPM2TAS1R3
Adenine SCHEMBL7996359 0.79 TRPM2 (0.49) CA5AHPRT1FBP1TRPM2TAS1R3
SCHEMBL136630 0.78 CDK2 (0.49) CDK1CCNB1MGMTCCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962920-B2 Use of active cytokinin synthase gene RIKEN (JP) 2015-02-24 US disclosed
US-20130212743-A1 METHOD FOR INCREASING PLANT BIOMASS BY CONTROLLING ACTIVE CYTOKININ EXPRESSION LEVEL RIKEN (JP) 2013-08-15 US disclosed
US-20130198894-A1 USE OF ACTIVE CYTOKININ SYNTHASE GENE RIKEN (JP) 2013-08-01 US disclosed
US-8124834-B2 Use of active cytokinin synthase gene RIKEN (JP) 2012-02-28 US disclosed
US-20090317863-A1 USE OF ACTIVE CYTOKININ SYNTHASE GENE RIKEN (JP) 2009-12-24 US disclosed
EP-2067859-A1 USE OF ACTIVATED CYTOKININ-BIOSYNTHESIZING ENZYME GENE Riken (JP) 2009-06-10 EP disclosed