SCHEMBL4498684

SCHEMBL4498684

CC(C)c1c(-c2ccncc2)[nH]c(C=O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.44
CSNK1A1 P48729 1/20 0.44
CLK2 P49760 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
CDC7 O00311 3/20 0.36
MAPK14 Q16539 5/20 0.36
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
GCGR P47871 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
KDM5B Q9UGL1 2/20 0.34
ALOX5 P09917 1/20 0.33
TGFBR1 P36897 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL4491011 0.87 SMN1; SMN2 (0.44)
SCHEMBL4485668 0.83 ALDH1A1 (0.39) CSNK1DCSNK1A1CLK2CSNK1G1CDC7
SCHEMBL4491747 0.80 MEN1 (0.40) CDC7
SCHEMBL4495480 0.80 ALDH1A1 (0.42) TLR9TLR8TLR7KDM5B
SCHEMBL4504198 0.79 LDHA (0.38) TLR9TLR8TLR7KDM5B
SCHEMBL7694078 0.78 CSNK1A1 (0.66) CSNK1DCSNK1A1CLK2CSNK1G1CDC7
SCHEMBL4488655 0.76 KDM4E (0.36) KDM5B
SCHEMBL7685201 0.76 CSNK1A1 (0.72) CSNK1DCSNK1A1CLK2CSNK1G1CDC7
SCHEMBL4491755 0.76 TRPV1 (0.36)
SCHEMBL4487481 0.75 TLR8 (0.35) TLR9TLR8TLR7

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
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed