SCHEMBL27768668

SCHEMBL27768668

Cc1cc(Br)cnc1Nc1ncc(C(=O)Nc2c(Cl)cccc2CN)s1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 16/20 0.58
MAPK14 Q16539 7/20 0.54
MAPK13 O15264 2/20 0.51
EGFR P00533 2/20 0.51
FYN P06241 2/20 0.51
HCK P08631 2/20 0.51
SRC P12931 2/20 0.51
JAK3 P52333 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
ABL1 P00519 1/20 0.51
ERBB2 P04626 1/20 0.51
YES1 P07947 1/20 0.51
LYN P07948 1/20 0.51
FGR P09769 1/20 0.51
KIT P10721 1/20 0.51
BCR P11274 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
SCHEMBL772685 0.89 LCK (0.72) LCKMAPK14MAPK13EGFRFYN
SCHEMBL27768701 0.88 LCK (0.55) LCKMAPK14MAPK13EGFRFYN
SCHEMBL19390084 0.84 LCK (0.61) LCKMAPK14MAPK13EGFRFYN
SCHEMBL27747467 0.83 LCK (0.55) LCKMAPK14MAPK13EGFRFYN
SCHEMBL27582872 0.83 MAPK14 (0.57) LCKMAPK14MAPK13EGFRFYN
SCHEMBL27684282 0.81 LCK (0.56) LCKMAPK14MAPK13EGFRFYN
SCHEMBL27582904 0.81 MAPK14 (0.58) LCKMAPK14MAPK13EGFRFYN
SCHEMBL27562382 0.80 MAPK14 (0.72) LCKMAPK14MAPK13EGFRFYN
SCHEMBL28781351 0.80 LCK (0.52) LCKMAPK14MAPK13EGFRFYN
SCHEMBL27655074 0.79 MAPK14 (0.50) 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-101481359-A Cyclic protein tyrosine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-07-15 CN claimed