SCHEMBL6487100

SCHEMBL6487100

Cc1cc(C)c(NC(=O)c2cnc(Nc3cccc(Cl)n3)s2)c(C)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 17/20 0.72
MAPK14 Q16539 4/20 0.59
MAPK13 O15264 1/20 0.59
ABL1 P00519 1/20 0.59
EGFR P00533 1/20 0.59
ERBB2 P04626 1/20 0.59
FYN P06241 1/20 0.59
YES1 P07947 1/20 0.59
LYN P07948 1/20 0.59
HCK P08631 1/20 0.59
FGR P09769 1/20 0.59
KIT P10721 1/20 0.59
BCR P11274 1/20 0.59
SRC P12931 1/20 0.59
JAK3 P52333 1/20 0.59
MAPK12 P53778 1/20 0.59
MAPK11 Q15759 1/20 0.59

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
SCHEMBL774812 0.89 LCK (0.74) LCKMAPK14MAPK13ABL1EGFR
SCHEMBL15891875 0.87 LCK (0.72) LCKMAPK14MAPK13ABL1EGFR
SCHEMBL773926 0.86 LCK (0.71) LCKMAPK14MAPK13ABL1EGFR
SCHEMBL774087 0.85 LCK (0.69) LCKMAPK14MAPK13ABL1EGFR
SCHEMBL22038674 0.85 LCK (0.69) LCKMAPK14MAPK13ABL1EGFR
SCHEMBL772868 0.84 LCK (1.00) LCKMAPK14MAPK13ABL1EGFR
SCHEMBL774820 0.83 LCK (0.71) LCKMAPK14MAPK13ABL1EGFR
SCHEMBL772252 0.81 LCK (0.76) LCKMAPK14MAPK13ABL1EGFR
SCHEMBL775123 0.81 LCK (0.85) LCKMAPK14MAPK13ABL1EGFR
SCHEMBL3717487 0.81 LCK (0.83) LCKMAPK14MAPK13ABL1EGFR

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-6979694-B2 Drugs such as (5-(((2,4,6-Trimethylphenyl)amino)carbonyl)-4-methyl-2-thiazolyl)carbamic acid, 1,1-dimethylethyl ester, used as enzyme inhibitors, for prohylaxis of inflammatory bowel disease; modulation of immunology BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-27 US disclosed