SCHEMBL7616758

SCHEMBL7616758

O=c1cc[nH]c(=O)n1C=CCl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CCR8 P51685 1/20 0.30
MAP2K1 Q02750 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
SCHEMBL4231524 0.80 MAPK8 (0.30) MAPK8DYRK1ACLK4DYRK1BMAP2K1
SCHEMBL8988110 0.80 MAPK8 (0.30) MAPK8DYRK1ACLK4DYRK1BMAP2K1
SCHEMBL7617011 0.80 MAPK8 (0.30) MAPK8DYRK1ACLK4DYRK1BMAP2K1
SCHEMBL2561874 0.77 CYP2A6 (0.31)
SCHEMBL9486314 0.76 MAPK8 (0.31) MAPK8DYRK1ACLK4DYRK1BMAP2K1
SCHEMBL27589630 0.75
SCHEMBL825561 0.72 BRD4 (0.32)
SCHEMBL8377723 0.67
SCHEMBL9443405 0.66 CRBN (0.35) MAPK8DYRK1ACLK4DYRK1BCCR8
Benzene SCHEMBL26606838 0.64 MAPK8 (0.36) MAPK8DYRK1ACLK4DYRK1BMAP2K1

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-1232166-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES Pharmasset Limited (US) 2002-08-21 EP disclosed
WO-2001034618-A2 SYNTHESIS OF 2'-DEOXY-L-NUCLEOSIDES PHARMASSET LIMITED (US) 2001-05-17 WO disclosed