SCHEMBL7008774

SCHEMBL7008774

COC(=O)c1ccc(Oc2ccc(-c3cn(C(C)C)c4ncnc(N)c34)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.72
TEK Q02763 11/20 0.72
LCK P06239 8/20 0.72
SRC P12931 1/20 0.55
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
PRKDC P78527 1/20 0.45
FLT3 P36888 3/20 0.45
RET P07949 2/20 0.43
HCK P08631 2/20 0.41
EGFR P00533 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL2075266 0.84 KDR (0.75) KDRTEKLCKSRCPIK3CD
SCHEMBL7005899 0.84 TEK (1.00) KDRTEKLCKSRCPIK3CD
SCHEMBL2075144 0.84 KDR (0.74) KDRTEKLCKSRCHPGD
SCHEMBL7003822 0.81 KDR (0.76) KDRTEKLCKSRCPIK3CD
SCHEMBL7004416 0.81 KDR (0.77) KDRTEKLCKSRCPIK3CD
SCHEMBL7008114 0.80 TEK (0.72) KDRTEKLCKSRCPIK3CD
SCHEMBL2073069 0.80 KDR (0.66) KDRTEKLCKSRCPIK3CD
SCHEMBL7005282 0.80 TEK (0.69) KDRTEKLCKSRCPIK3CD
SCHEMBL7004771 0.80 KDR (0.63) KDRTEKLCKSRCPIK3CD
SCHEMBL6464268 0.79 TEK (0.70) 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 5 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-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