SCHEMBL28371011

SCHEMBL28371011

Cc1nc(Cl)cc(Nc2ncc(C(=O)Nc3ccccc3C)s2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.63
ABL1 P00519 7/20 0.63
BCR P11274 4/20 0.63
SRC P12931 4/20 0.63
MAPK14 Q16539 3/20 0.63
EGFR P00533 2/20 0.63
FYN P06241 2/20 0.63
YES1 P07947 2/20 0.63
LYN P07948 2/20 0.63
HCK P08631 2/20 0.63
KIT P10721 2/20 0.63
MAPK13 O15264 1/20 0.63
ERBB2 P04626 1/20 0.63
FGR P09769 1/20 0.63
JAK3 P52333 1/20 0.63
MAPK12 P53778 1/20 0.63
MAPK11 Q15759 1/20 0.63
PKMYT1 Q99640 2/20 0.56
HDAC1 Q13547 2/20 0.54
SIK1 P57059 1/20 0.51

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
SCHEMBL20785959 0.92 PKMYT1 (0.66) LCKABL1BCRSRCMAPK14
SCHEMBL774847 0.89 LCK (0.71) LCKABL1BCRSRCMAPK14
SCHEMBL20633284 0.88 LCK (0.76) LCKABL1BCRSRCMAPK14
SCHEMBL4462679 0.88 LCK (0.64) LCKABL1BCRSRCMAPK14
SCHEMBL21875005 0.88 ABL1 (0.64) LCKABL1BCRSRCMAPK14
SCHEMBL22964561 0.87 LCK (0.60) LCKABL1BCRSRCMAPK14
SCHEMBL21875019 0.86 ABL1 (0.64) LCKABL1BCRSRCMAPK14
SCHEMBL1146860 0.86 LCK (0.85) LCKABL1BCRSRCMAPK14
SCHEMBL29355730 0.86 LCK (0.85) LCKABL1BCRSRCMAPK14
SCHEMBL30152032 0.86 ABL1 (0.64) LCKABL1BCRSRCMAPK14

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-107043375-B Novel method for preparing dasatinib and intermediate thereof 江苏食品药品职业技术学院 2020-03-20 CN disclosed