SCHEMBL6989700

SCHEMBL6989700

CN(c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1)C1CCC(CN)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.56
ERBB2 P04626 7/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
GRM1 Q13255 1/20 0.46
FBP1 P09467 2/20 0.42
ERBB4 Q15303 2/20 0.42
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
BRAF P15056 1/20 0.41
DYRK1A Q13627 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
SCHEMBL6991676 0.95 EGFR (0.55) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991957 0.91 EGFR (0.54) EGFRERBB2MAPTHPGDHTT
SCHEMBL6996564 0.90 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316549 0.89 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316553 0.89 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL7585192 0.88 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL7585182 0.88 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990921 0.87 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL6986988 0.86 EGFR (0.72) EGFRERBB2MAPTHPGDHTT
SCHEMBL7584883 0.85 EGFR (0.53) EGFRERBB2MAPTHPGDHTT

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