SCHEMBL6989432

SCHEMBL6989432

NCCCNc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 10/20 0.62
STK17B O94768 6/20 0.62
EGFR P00533 9/20 0.58
ERBB2 P04626 3/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
GRM1 Q13255 1/20 0.53
MAPT P10636 1/20 0.50

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
SCHEMBL6990324 0.97 STK17A (0.59) STK17ASTK17BEGFRERBB2HPGD
SCHEMBL6992551 0.96 EGFR (0.59) STK17ASTK17BEGFRERBB2HPGD
SCHEMBL6993122 0.94 EGFR (0.60) STK17ASTK17BEGFRERBB2HPGD
SCHEMBL8317514 0.89 EGFR (0.54) STK17ASTK17BEGFRERBB2HPGD
SCHEMBL8319127 0.88 EGFR (0.54) STK17ASTK17BEGFRERBB2HPGD
SCHEMBL8317785 0.88 EGFR (0.54) STK17ASTK17BEGFRERBB2HPGD
SCHEMBL6999279 0.87 EGFR (0.56) STK17ASTK17BEGFRERBB2HPGD
SCHEMBL8315925 0.86 EGFR (0.55) STK17ASTK17BEGFRERBB2HPGD
SCHEMBL6990945 0.86 EGFR (0.57) STK17ASTK17BEGFRERBB2HPGD
SCHEMBL8490032 0.86 EGFR (0.57) STK17ASTK17BEGFRERBB2HPGD

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