SCHEMBL7004416

SCHEMBL7004416

CC(C)n1cc(-c2ccc(Oc3cc(Cl)ccc3[N+](=O)[O-])cc2)c2c(N)ncnc21

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.77
TEK Q02763 15/20 0.77
LCK P06239 12/20 0.77
SRC P12931 3/20 0.60
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
PRKDC P78527 1/20 0.46
FLT3 P36888 1/20 0.42
RET P07949 1/20 0.42
HCK P08631 1/20 0.41
PDE7A Q13946 1/20 0.41

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
SCHEMBL7005899 0.87 TEK (1.00) KDRTEKLCKSRCPIK3CD
SCHEMBL7003822 0.87 KDR (0.76) KDRTEKLCKSRCPIK3CD
SCHEMBL2072165 0.84 KDR (0.63) KDRTEKLCKSRCPIK3CD
SCHEMBL2073373 0.83 KDR (0.76) KDRTEKLCKSRCPIK3CD
SCHEMBL2075266 0.83 KDR (0.75) KDRTEKLCKSRCPIK3CD
SCHEMBL2072184 0.82 TEK (0.69) KDRTEKLCKSRCPIK3CD
SCHEMBL2075144 0.82 KDR (0.74) KDRTEKLCKSRCPIK3CD
SCHEMBL7005282 0.82 TEK (0.69) KDRTEKLCKSRCPIK3CD
SCHEMBL7008774 0.81 KDR (0.72) KDRTEKLCKSRCPIK3CD
SCHEMBL2073258 0.80 KDR (0.63) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970084-B1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AG (DE) 2003-06-04 EP claimed
EP-0970084-A1 PYRROLO 2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-01-12 EP claimed
WO-1998041525-A1 PYRROLO[2,3D]PYRIMIDINES AND THEIR USE AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-09-24 WO claimed
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