SCHEMBL4770646

SCHEMBL4770646

CN(C)CCN=C1NC(=O)C(=Cc2cccc3cccnc23)S1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 3/20 0.69
PIM1 P11309 1/20 0.47
CDK1 P06493 4/20 0.44
PRKCD Q05655 3/20 0.44
CCNB1 P14635 2/20 0.44
MAPK1 P28482 2/20 0.44
AURKA O14965 1/20 0.44
CCNT1 O60563 1/20 0.44
CCNA2 P20248 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
MNAT1 P51948 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL4374242 0.89 DYRK3 (0.54) DYRK3CDK1PRKCDCCNB1MAPK1
SCHEMBL2787615 0.82 DYRK3 (1.00) DYRK3PIM1CDK1PRKCDCCNB1
SCHEMBL2787614 0.82 DYRK3 (1.00) DYRK3PIM1CDK1PRKCDCCNB1
SCHEMBL4377398 0.81 HPGD (0.61) DYRK3CDK1PRKCDCCNB1MAPK1
SCHEMBL1249102 0.76 CISD1 (0.71) PIM1GSK3AGSK3BCISD1POLB
SCHEMBL1249100 0.76 CISD1 (0.71) PIM1GSK3AGSK3BCISD1POLB
SCHEMBL4775749 0.76 MEN1 (0.48) DYRK3MAPK1GSK3BCISD1PTPN11
SCHEMBL4774341 0.76 MAPT (0.64) DYRK3MAPK1CISD1PTPN11POLB
SCHEMBL4772304 0.75 DYRK3 (0.68) DYRK3GSK3BCISD1PTPN11POLB
SCHEMBL4772766 0.74 DYRK3 (0.69) DYRK3GSK3BCDC25BPTPN11POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed