SCHEMBL12895263

SCHEMBL12895263

CNc1ncbc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cc(Br)ccc3N(C)CCCN(C)C)c2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 12/20 0.66
KDR P35968 7/20 0.66
AURKA O14965 4/20 0.66
LCK P06239 2/20 0.66
ABL1 P00519 1/20 0.66
EGFR P00533 1/20 0.66
NTRK1 P04629 1/20 0.66
INSR P06213 1/20 0.66
FES P07332 1/20 0.66
CSF1R P07333 1/20 0.66
LYN P07948 1/20 0.66
RET P07949 1/20 0.66
IGF1R P08069 1/20 0.66
MET P08581 1/20 0.66
PDGFRB P09619 1/20 0.66
FGR P09769 1/20 0.66
SRC P12931 1/20 0.66
AKT1 P31749 1/20 0.66
CSK P41240 1/20 0.66
ZAP70 P43403 1/20 0.66

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
SCHEMBL1264584 0.89 TEK (0.83) TEKKDRAURKALCKABL1
SCHEMBL1264998 0.88 TEK (0.84) TEKKDRAURKALCKABL1
SCHEMBL1264910 0.81 TEK (0.84) TEKKDRAURKALCKABL1
SCHEMBL1264595 0.81 TEK (0.85) TEKKDRAURKALCKABL1
SCHEMBL1266044 0.81 TEK (0.80) TEKKDRAURKALCKABL1
SCHEMBL1264545 0.80 TEK (0.82) TEKKDRAURKALCKABL1
SCHEMBL1263890 0.80 TEK (0.81) TEKKDRAURKALCKABL1
SCHEMBL1264710 0.80 TEK (0.90) TEKKDRAURKALCKABL1
SCHEMBL1265259 0.80 TEK (1.00) TEKKDRAURKALCKABL1
SCHEMBL1265824 0.80 TEK (1.00) TEKKDRAURKALCKABL1

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
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed
US-7880000-B2 N-(5-(1,1- dimethylethyl)-3- isoxazolyl)-4-methyl-3- ((3-(4-pyrimidinyl)-2- pyridinyl)amino)benzamide, used for treating breast cancer or rheumatoid arthritis AMGEN INC. (US) 2011-02-01 US disclosed