SCHEMBL6990926

SCHEMBL6990926

Fc1ccc(Nc2ncnc3cnc(NCC4CCNCC4)nc23)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.60
ERBB2 P04626 5/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
MAPT P10636 1/20 0.54
ERBB4 Q15303 1/20 0.49
SOS1 Q07889 2/20 0.48
GRM1 Q13255 1/20 0.46
FBP1 P09467 2/20 0.42
CSNK2A1 P68400 1/20 0.41
AURKA O14965 1/20 0.41
INSR P06213 1/20 0.41
PDGFRB P09619 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CLK1 P49759 1/20 0.41
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41
AURKB Q96GD4 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
SCHEMBL6987877 0.91 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993247 0.90 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL4351961 0.89 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996566 0.89 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6986993 0.88 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319396 0.86 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319391 0.86 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL6999445 0.86 EGFR (0.77) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315785 0.86 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6995232 0.85 EGFR (0.58) EGFRERBB2HPGDHTTMAPT

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-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP claimed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP claimed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO claimed
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed