SCHEMBL1540105

SCHEMBL1540105

CCc1cccnc1Nc1ncc(C(=O)Nc2c(C)cccc2Cl)s1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.69
MAPK14 Q16539 8/20 0.68
MAPK13 O15264 2/20 0.61
EGFR P00533 2/20 0.61
FYN P06241 2/20 0.61
HCK P08631 2/20 0.61
SRC P12931 2/20 0.61
JAK3 P52333 2/20 0.61
MAPK12 P53778 2/20 0.61
MAPK11 Q15759 2/20 0.61
ABL1 P00519 1/20 0.60
ERBB2 P04626 1/20 0.60
YES1 P07947 1/20 0.60
LYN P07948 1/20 0.60
FGR P09769 1/20 0.60
KIT P10721 1/20 0.60
BCR P11274 1/20 0.60

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
SCHEMBL774498 0.91 LCK (0.76) LCKMAPK14MAPK13EGFRFYN
SCHEMBL774360 0.87 LCK (0.70) LCKMAPK14MAPK13EGFRFYN
SCHEMBL12703161 0.86 LCK (0.73) LCKMAPK14MAPK13EGFRFYN
SCHEMBL31727502 0.86 LCK (0.67) LCKMAPK14MAPK13EGFRFYN
SCHEMBL775063 0.85 LCK (0.74) LCKMAPK14MAPK13EGFRFYN
SCHEMBL774109 0.83 LCK (0.73) LCKMAPK14MAPK13EGFRFYN
SCHEMBL774063 0.83 MAPK14 (0.65) LCKMAPK14MAPK13EGFRFYN
SCHEMBL2774894 0.82 LCK (0.83) LCKMAPK14MAPK13EGFRFYN
SCHEMBL774932 0.82 LCK (1.00) LCKMAPK14MAPK13EGFRFYN
SCHEMBL775040 0.81 LCK (0.70) 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
EP-2308833-A2 Cyclic protein tyrosine kinase inhibitors Bristol-Myers Squibb Company (US) 2011-04-13 EP claimed