SCHEMBL4564865

SCHEMBL4564865

Cc1c(C(N)=O)cccc1-c1ncc[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 2/20 0.73
TYRO3 Q06418 1/20 0.73
DYRK1B Q9Y463 1/20 0.73
PARP1 P09874 6/20 0.51
NUDT1 P36639 1/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CDK2 P24941 2/20 0.41
CCNA2 P20248 1/20 0.41
BTK Q06187 3/20 0.40
PDPK1 O15530 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NISCH Q9Y2I1 1/20 0.39
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
MAPK13 O15264 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL11331905 0.88 CSNK1A1 (0.59) CSNK1A1TYRO3DYRK1BPARP1HCRTR1
SCHEMBL6825869 0.84 CSNK1A1 (1.00) CSNK1A1TYRO3DYRK1BPARP1NUDT1
Water SCHEMBL30473073 0.83 CSNK1A1 (0.97) CSNK1A1TYRO3DYRK1BPARP1NUDT1
SCHEMBL4564863 0.81 CSNK1A1 (0.61) CSNK1A1TYRO3DYRK1BPARP1NUDT1
SCHEMBL30471810 0.77 BCAT2 (0.52) PARP1BTKPDPK1KDM4EALDH1A1
SCHEMBL7592281 0.76 CSNK1A1 (0.47) CSNK1A1TYRO3DYRK1BHCRTR1HCRTR2
SCHEMBL10937921 0.76 SMN1; SMN2 (0.53) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL14886293 0.76 CSNK1A1 (0.54) CSNK1A1TYRO3DYRK1BPARP1HCRTR1
SCHEMBL29483242 0.76 NISCH (0.47) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1
SCHEMBL2011486 0.76 NISCH (0.47) CSNK1A1TYRO3DYRK1BKDM4EALDH1A1

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed