SCHEMBL28844997

SCHEMBL28844997

Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccc(C#N)cc2)s1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.77
MAPK14 Q16539 7/20 0.65
MAPK13 O15264 1/20 0.65
EGFR P00533 1/20 0.65
FYN P06241 1/20 0.65
HCK P08631 1/20 0.65
SRC P12931 1/20 0.65
JAK3 P52333 1/20 0.65
MAPK12 P53778 1/20 0.65
MAPK11 Q15759 1/20 0.65
ABL1 P00519 1/20 0.65

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
SCHEMBL28844469 0.89 LCK (0.85) LCKMAPK14MAPK13EGFRFYN
SCHEMBL28147824 0.89 LCK (0.85) LCKMAPK14MAPK13EGFRFYN
SCHEMBL773593 0.87 LCK (1.00) LCKMAPK14MAPK13EGFRFYN
SCHEMBL28148957 0.87 LCK (0.82) LCKMAPK14MAPK13EGFRFYN
SCHEMBL774370 0.85 LCK (0.84) LCKMAPK14MAPK13EGFRFYN
SCHEMBL28148953 0.85 LCK (0.79) LCKMAPK14MAPK13EGFRFYN
SCHEMBL28147822 0.85 LCK (0.79) LCKMAPK14MAPK13EGFRFYN
SCHEMBL28147825 0.85 LCK (0.79) LCKMAPK14MAPK13EGFRFYN
SCHEMBL28147827 0.83 LCK (0.76) LCKMAPK14MAPK13EGFRFYN
SCHEMBL774486 0.83 MAPK14 (0.77) LCKMAPK14MAPK13EGFRFYN

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
CN-106674150-A Dasatinib derivative with anti-tumor activity and application thereof 上海应用技术大学 2017-05-17 CN disclosed