SCHEMBL3987882

SCHEMBL3987882

NC1NC(=O)C(=C2CCNC(=O)c3[nH]c(Br)cc32)N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.63
CDK5R1 Q15078 7/20 0.63
CCNB2 O95067 5/20 0.63
CDK1 P06493 5/20 0.63
CCNB1 P14635 5/20 0.63
CCNB3 Q8WWL7 5/20 0.63
PRKD3 O94806 3/20 0.63
PRKCG P05129 3/20 0.63
PRKCB P05771 3/20 0.63
PRKCA P17252 3/20 0.63
PRKCH P24723 3/20 0.63
PRKCI P41743 3/20 0.63
PRKCE Q02156 3/20 0.63
PRKCQ Q04759 3/20 0.63
PRKCZ Q05513 3/20 0.63
PRKCD Q05655 3/20 0.63
PRKD1 Q15139 3/20 0.63
CSNK1A1 P48729 2/20 0.63
CSNK1D P48730 2/20 0.63
CSNK1E P49674 2/20 0.63

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
Spongiacidin D SCHEMBL15426068 0.77 CDK5 (1.00) CDK5CDK5R1CCNB2CDK1CCNB1
Hymenialdisine SCHEMBL24393900 0.75 CDK5 (0.76) CDK5CDK5R1CCNB2CDK1CCNB1
Spongiacidin A SCHEMBL23938900 0.75 CDK5 (0.56) CDK5CDK5R1CCNB2CDK1CCNB1
Hymenialdisine SCHEMBL155899 0.75 CHEK2 (0.74) CDK5CDK5R1CCNB2CDK1CCNB1
Hymenialdisine SCHEMBL1249687 0.75 CHEK2 (0.74) CDK5CDK5R1CCNB2CDK1CCNB1
Hymenialdisine SCHEMBL1249686 0.75 CHEK2 (0.74) CDK5CDK5R1CCNB2CDK1CCNB1
SCHEMBL7837428 0.73 MAP2K1 (1.00) CDK5CDK5R1CCNB2CDK1CCNB1
Hymenialdisine SCHEMBL6031276 0.72 CDK5 (0.69) CDK5CDK5R1CCNB2CDK1CCNB1
Hymenialdisine SCHEMBL15426167 0.72 CDK5 (1.00) CDK5CDK5R1CCNB2CDK1CCNB1
Hymenialdisine SCHEMBL18114524 0.72 CDK5 (1.00) CDK5CDK5R1CCNB2CDK1CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325931-A1 USE OF CDK INHIBITORS FOR THE TREATMENT OF GRANULOCYTE MEDIATED DISORDERS UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2009-12-31 US disclosed
EP-2061446-A2 USE OF CDK INHIBITORS FOR THE TREATMENT OF GRANULOCYTE MEDIATED DISORDERS University Court of the University of Edinburgh (GB) 2009-05-27 EP disclosed
WO-2008012563-A2 USE OF CDK INHIBITORS FOR THE TREATMENT OF GRANULOCYTE MEDIATED DISORDERS UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2008-01-31 WO disclosed