SCHEMBL6997055

SCHEMBL6997055

CN(C)CC1CCCCN1c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.65
ERBB2 P04626 6/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
GRM1 Q13255 1/20 0.45
ERBB4 Q15303 4/20 0.44
JAK3 P52333 1/20 0.44
FBP1 P09467 1/20 0.43

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
SCHEMBL6997746 0.91 EGFR (0.61) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991750 0.88 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316917 0.81 EGFR (0.71) EGFRERBB2MAPTHPGDHTT
SCHEMBL6998251 0.80 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990982 0.80 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316275 0.80 EGFR (0.75) EGFRERBB2MAPTHPGDHTT
SCHEMBL6990091 0.80 EGFR (0.58) EGFRERBB2MAPTHPGDHTT
SCHEMBL2394914 0.79 EGFR (1.00) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317206 0.79 EGFR (0.66) EGFRERBB2MAPTHPGDHTT
SCHEMBL8317849 0.79 EGFR (0.71) 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 3 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 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