SCHEMBL12438006

SCHEMBL12438006

C=C(C)NCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.85
INSR P06213 7/20 0.70
LYN P07948 5/20 0.70
SRC P12931 4/20 0.70
LCK P06239 4/20 0.70
FGFR1 P11362 4/20 0.70
KDR P35968 4/20 0.70
FLT3 P36888 4/20 0.70
EGFR P00533 4/20 0.70
FLT4 P35916 3/20 0.70
ROCK2 O75116 3/20 0.70
KIT P10721 3/20 0.70
FLT1 P17948 3/20 0.70
RET P07949 3/20 0.70
CSF1R P07333 3/20 0.70
BLK P51451 3/20 0.70
ERBB4 Q15303 2/20 0.70
ACVR1 Q04771 2/20 0.70
AURKA O14965 2/20 0.70
CHEK2 O96017 2/20 0.70

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
SCHEMBL1984101 0.92 IGF1R (1.00) IGF1RINSRLYNSRCLCK
SCHEMBL1983400 0.92 IGF1R (1.00) IGF1RINSRLYNSRCLCK
SCHEMBL1983399 0.92 IGF1R (1.00) IGF1RINSRLYNSRCLCK
SCHEMBL1986302 0.90 IGF1R (0.87) IGF1RINSRLYNSRCLCK
SCHEMBL1985881 0.90 IGF1R (0.87) IGF1RINSRLYNSRCLCK
SCHEMBL1985882 0.90 IGF1R (0.87) IGF1RINSRLYNSRCLCK
SCHEMBL1985479 0.90 IGF1R (0.81) IGF1RINSRLYNSRCLCK
SCHEMBL1984360 0.90 IGF1R (0.81) IGF1RINSRLYNSRCLCK
SCHEMBL1990741 0.90 IGF1R (0.87) IGF1RINSRLYNSRCLCK
SCHEMBL1985909 0.90 IGF1R (0.87) IGF1RINSRLYNSRCLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
EP-1841760-B1 PYRIMIDINE DERIVATIVES AS KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2011-08-10 EP disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed
WO-2008005538-A2 METHODS OF USING IGF1R AND ABL KINASE MODULATORS EXELIXIS, INC. (US) 2008-01-10 WO disclosed