SCHEMBL4768901

SCHEMBL4768901

NC(=O)c1ccccc1-c1ccnc2[nH]ncc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 2/20 0.65
CSNK1A1 P48729 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
TYRO3 Q06418 1/20 0.47
CHEK1 O14757 2/20 0.46
BTK Q06187 2/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
RET P07949 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
LTK P29376 1/20 0.46
KDR P35968 1/20 0.46
MAP2K2 P36507 1/20 0.46
FLT3 P36888 1/20 0.46
PRKX P51817 1/20 0.46
CDK5 Q00535 1/20 0.46

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
SCHEMBL29499046 0.81 RET (0.46) NUDT1CSNK1A1DYRK1BCHEK1BTK
SCHEMBL1694892 0.81 RET (0.46) NUDT1CSNK1A1DYRK1BCHEK1BTK
SCHEMBL4772891 0.79 NUDT1 (1.00) NUDT1CSNK1A1DYRK1BTYRO3BTK
SCHEMBL4762982 0.79 PRKCI (0.60) NUDT1CHEK1PLK4AURKACSF1R
SCHEMBL31409300 0.78 METAP2 (0.55) NUDT1CSNK1A1DYRK1BTYRO3CHEK1
SCHEMBL4770932 0.78 NUDT1 (0.41) NUDT1CSNK1A1DYRK1BCHEK1BTK
SCHEMBL27872261 0.77 NUDT1 (0.59) NUDT1CSNK1A1DYRK1BTYRO3BCAT2
SCHEMBL4288326 0.76 BTK (0.44) NUDT1BTKTNK2PRKCQBRD4
SCHEMBL4768889 0.75 NUDT1 (0.58) NUDT1CSNK1A1DYRK1BTYRO3BCAT2
SCHEMBL28793917 0.75 NUDT1 (0.51) NUDT1CHEK1ROCK1PRKCQBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP claimed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 WO claimed