SCHEMBL4564863

SCHEMBL4564863

Cc1cccc(C(N)=O)c1-c1ncc[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.61
TYRO3 Q06418 1/20 0.61
DYRK1B Q9Y463 1/20 0.61
PARP1 P09874 7/20 0.52
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
NISCH Q9Y2I1 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SIRT3 Q9NTG7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NUDT1 P36639 1/20 0.39
MTOR P42345 1/20 0.39
ADK P55263 1/20 0.39
MYC P01106 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
AHR P35869 1/20 0.38
RAB9A P51151 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
SCHEMBL29054844 0.88 CSNK1A1 (0.50) CSNK1A1TYRO3DYRK1BPARP1KDM4E
SCHEMBL6001368 0.82 NISCH (0.52) CSNK1A1TYRO3DYRK1BPARP1KDM4E
SCHEMBL4982702 0.81 CSNK1A1 (0.44) CSNK1A1TYRO3DYRK1BPARP1KDM4E
SCHEMBL4564865 0.81 CSNK1A1 (0.73) CSNK1A1TYRO3DYRK1BPARP1PDPK1
Hydrochloric Acid SCHEMBL29265356 0.80 NISCH (0.50) CSNK1A1TYRO3DYRK1BPARP1KDM4E
SCHEMBL20770802 0.79 CSNK1A1 (0.66) CSNK1A1TYRO3DYRK1BPARP1AURKA
SCHEMBL14886293 0.77 CSNK1A1 (0.54) CSNK1A1TYRO3DYRK1BPARP1KDM4E
SCHEMBL28766417 0.77 NISCH (0.47) CSNK1A1TYRO3DYRK1BPARP1KDM4E
SCHEMBL6825869 0.76 CSNK1A1 (1.00) CSNK1A1TYRO3DYRK1BPARP1KDM4E
SCHEMBL9260794 0.76 NISCH (0.46) CSNK1A1TYRO3DYRK1BPARP1KDM4E

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