SCHEMBL1024249

SCHEMBL1024249

C=C(C)CCc1nc(N)c2[nH]cnc2n1.O=P(O)(O)OC1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
MGMT P16455 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
SLC5A1 P13866 2/20 0.32
SLC5A2 P31639 2/20 0.32

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
Ribose (Furanose) SCHEMBL17275115 0.85 MGMT (0.38) ADORA1CDK1CCNB1MGMTCCNA2
SCHEMBL717431 0.83 CA5A (0.39) ADORA1CDK1CCNB1MGMTCCNA2
Phosphoric Acid SCHEMBL214567 0.81 MGMT (0.44) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL15167310 0.81 TRPM2 (0.41)
Adenine SCHEMBL2168804 0.80 PI4KA (0.47) ADORA1
SCHEMBL15166956 0.79 TRPM2 (0.43)
SCHEMBL136630 0.78 CDK2 (0.49) CDK1CCNB1MGMTCCNA2CDK2
SCHEMBL29677204 0.78 CDK2 (0.49) CDK1CCNB1MGMTCCNA2CDK2
Mercaptopurine Anhydrous SCHEMBL10522158 0.73 ADORA1 (0.37) ADORA1
SCHEMBL8102858 0.72 ADORA1 (0.43) ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274429-B1 MULTIZYMES DU PONT (US) 2014-10-22 EP disclosed
EP-2274429-A1 MULTIZYMES E. I. du Pont de Nemours and Company (US) 2011-01-19 EP disclosed
US-20110008868-A1 MULTIZYMES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-01-13 US disclosed
WO-2009124225-A1 MULTIZYMES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-08 WO disclosed