SCHEMBL7006094

SCHEMBL7006094

CC(C)n1cc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.64
TEK Q02763 9/20 0.64
LCK P06239 6/20 0.64
SRC P12931 4/20 0.64
PIK3CD O00329 2/20 0.53
PIK3CA P42336 2/20 0.53
PIK3CG P48736 2/20 0.53
PRKDC P78527 2/20 0.53
PIK3CB P42338 1/20 0.53
FLT3 P36888 1/20 0.51
GSK3B P49841 1/20 0.48
RET P07949 3/20 0.48
ABL1 P00519 2/20 0.48
EGFR P00533 2/20 0.48
HCK P08631 1/20 0.48
MTOR P42345 1/20 0.48
EPHB4 P54760 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
ABL2 P42684 1/20 0.47
KIT P10721 1/20 0.47

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
SCHEMBL7010670 0.88 KDR (0.47) KDRTEKLCKSRCFLT3
SCHEMBL12934128 0.85 KDR (0.56) KDRTEKLCKSRCPIK3CD
SCHEMBL7005295 0.80 KDR (0.63) KDRTEKLCKSRCPIK3CD
SCHEMBL7007567 0.78 KDR (0.71) KDRTEKLCKSRCPIK3CD
SCHEMBL7005359 0.78 TEK (1.00) KDRTEKLCKSRCPIK3CD
SCHEMBL29552512 0.78 TEK (1.00) KDRTEKLCKSRCPIK3CD
SCHEMBL2073298 0.77 KDR (0.70) KDRTEKLCKSRCPIK3CD
SCHEMBL12934132 0.76 SRC (0.70) KDRTEKLCKSRCFLT3
SCHEMBL13020100 0.76 KDR (0.68) KDRTEKLCKSRCPIK3CD
SCHEMBL2074398 0.76 PIK3CD (0.73) KDRTEKLCKSRCPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1134439-C Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors 艾博特股份有限两合公司 2004-01-14 CN claimed
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP claimed
CN-1259950-A Pyrrolo [2,3D] pyrimidines and their use as tyrosine kinase inhibitors BASF AG (DE) 2000-07-12 CN claimed
CN-1134439-C Pyrrolo [2,3D ] pyrimidines and their use as tyrosine kinase inhibitors 艾博特股份有限两合公司 2004-01-14 CN disclosed
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP disclosed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP disclosed
US-6001839-A Substituted 4-amino-7H-pyrrolo [2,3,-d]-pyrimidines as PTK inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-12-14 US disclosed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO disclosed