SCHEMBL5204280

SCHEMBL5204280

CCN(CC)c1cc(Nc2ncc(C(=O)O)s2)nc(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.47
ABL1 P00519 12/20 0.43
BCR P11274 4/20 0.43
SRC P12931 3/20 0.43
MAPK13 O15264 1/20 0.43
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
FYN P06241 1/20 0.43
YES1 P07947 1/20 0.43
LYN P07948 1/20 0.43
HCK P08631 1/20 0.43
FGR P09769 1/20 0.43
KIT P10721 1/20 0.43
JAK3 P52333 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
SIK2 Q9H0K1 10/20 0.41
SIK3 Q9Y2K2 10/20 0.41
SIK1 P57059 9/20 0.41

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
SCHEMBL4250766 0.80 LCK (0.53) LCKABL1BCRSRCMAPK13
SCHEMBL19436377 0.79 LCK (0.52) LCKABL1BCRSRCMAPK13
SCHEMBL14141859 0.79 LCK (0.52) LCKABL1BCRSRCMAPK13
SCHEMBL4254834 0.79 LCK (0.52) LCKABL1BCRSRCMAPK13
SCHEMBL14142362 0.79 LCK (0.52) LCKABL1BCRSRCMAPK13
SCHEMBL4253447 0.78 ABL1 (0.50) LCKABL1BCRSRCMAPK13
SCHEMBL4252532 0.78 ABL1 (0.63) LCKABL1BCRSRCMAPK13
SCHEMBL4254740 0.75 ITK (0.49) LCKABL1BCRSRCMAPK13
SCHEMBL4252892 0.74 ABL1 (0.69) ABL1BCRSRCKITSIK2
SCHEMBL14665835 0.73 ABL1 (0.64) LCKABL1BCRSRCMAPK13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 EP claimed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 WO claimed