SCHEMBL27768520

SCHEMBL27768520

Cc1cc(Nc2ncc(C(=O)Nc3ccccc3CN)s2)nc(C)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 9/20 0.61
ABL1 P00519 10/20 0.60
BCR P11274 5/20 0.60
SRC P12931 3/20 0.60
MAPK13 O15264 1/20 0.60
EGFR P00533 1/20 0.60
ERBB2 P04626 1/20 0.60
FYN P06241 1/20 0.60
YES1 P07947 1/20 0.60
LYN P07948 1/20 0.60
HCK P08631 1/20 0.60
FGR P09769 1/20 0.60
KIT P10721 1/20 0.60
JAK3 P52333 1/20 0.60
MAPK12 P53778 1/20 0.60
MAPK11 Q15759 1/20 0.60
MAPK14 Q16539 1/20 0.60
HDAC1 Q13547 4/20 0.56
PKMYT1 Q99640 1/20 0.52
SIK1 P57059 3/20 0.50

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
SCHEMBL774847 0.87 LCK (0.71) LCKABL1BCRSRCMAPK13
SCHEMBL27747455 0.85 ABL1 (0.46) LCKABL1BCRSRCMAPK13
SCHEMBL774835 0.82 LCK (0.69) LCKABL1BCRSRCMAPK13
SCHEMBL6606724 0.80 LCK (0.68) LCKABL1BCRSRCMAPK13
SCHEMBL20633186 0.79 LCK (0.86) LCKABL1BCRSRCMAPK13
SCHEMBL27747454 0.79 ABL1 (0.41) LCKABL1BCRSRCMAPK13
SCHEMBL27818091 0.77 LCK (0.67) LCKABL1BCRSRCMAPK13
SCHEMBL28371011 0.77 LCK (0.63) LCKABL1BCRSRCMAPK13
SCHEMBL20785959 0.77 PKMYT1 (0.66) LCKABL1BCRSRCMAPK13
SCHEMBL774475 0.76 LCK (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101481359-A Cyclic protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-07-15 CN claimed