SCHEMBL14932504

SCHEMBL14932504

Cc1ncc(C#N)c(I)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CDK1 P06493 2/20 0.32
KDR P35968 2/20 0.32
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
CHUK O15111 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL15434635 0.78 CSNK1A1 (0.39) CSNK1A1CLK4ADORA2AADORA1CDK1
SCHEMBL12726136 0.75 CSNK1A1 (0.37) CSNK1A1CLK4ADORA2AADORA1CDK1
SCHEMBL584580 0.75 CSNK1A1 (0.60) CSNK1A1CLK4ADORA2AADORA1TSHR
SCHEMBL12726137 0.75 CSNK1A1 (0.46) CSNK1A1CLK4ADORA2AADORA1CDK1
SCHEMBL19100200 0.75 CSNK1A1 (0.60) CSNK1A1CLK4ADORA2AADORA1KDM4E
SCHEMBL2872592 0.72 CSNK1A1 (0.35) CSNK1A1CLK4ADORA2AADORA1CDK1
SCHEMBL21550205 0.72 GAA (0.44) CSNK1A1CLK4KDM4EMEN1GAA
SCHEMBL17816473 0.72 CDK1 (0.45) CSNK1A1CLK4ADORA2AADORA1CDK1
SCHEMBL14932514 0.71 MBOAT4 (0.43) CSNK1A1CLK4HTT
SCHEMBL25786542 0.71 KDM4E (0.36) CSNK1A1CLK4ADORA2AADORA1CDK1

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-2013067142-A1 COMPOUNDS AND TREATMENT METHODS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-10 WO disclosed