SCHEMBL6994800

SCHEMBL6994800

Nc1ccc(CNc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.60
ERBB2 P04626 7/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
GRM1 Q13255 1/20 0.55
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.47
CSNK2A1 P68400 1/20 0.46
STK17A Q9UEE5 2/20 0.46
STK17B O94768 1/20 0.46
FBP1 P09467 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ERBB4 Q15303 1/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
AURKA O14965 1/20 0.44
INSR P06213 1/20 0.44

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
SCHEMBL8490032 0.93 EGFR (0.57) EGFRERBB2HPGDHTTGRM1
SCHEMBL8483667 0.90 EGFR (0.58) EGFRERBB2HPGDHTTGRM1
SCHEMBL6993122 0.87 EGFR (0.60) EGFRERBB2HPGDHTTGRM1
SCHEMBL8490245 0.87 EGFR (0.54) EGFRERBB2HPGDHTTGRM1
SCHEMBL6988056 0.85 EGFR (0.57) EGFRERBB2HPGDHTTGRM1
SCHEMBL6989432 0.85 STK17A (0.62) EGFRERBB2HPGDHTTGRM1
SCHEMBL6990324 0.84 STK17A (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL6993332 0.83 EGFR (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL6992551 0.83 EGFR (0.59) EGFRERBB2HPGDHTTGRM1
SCHEMBL6993156 0.83 EGFR (0.59) EGFRERBB2HPGDHTTGRM1

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