SCHEMBL6992551

SCHEMBL6992551

NCCCCCNc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.59
ERBB2 P04626 3/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
STK17A Q9UEE5 7/20 0.58
STK17B O94768 4/20 0.58
GRM1 Q13255 1/20 0.52
MAPT P10636 1/20 0.49
BCL6 P41182 1/20 0.46

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 0.99 STK17A (0.59) EGFRERBB2HPGDHTTSTK17A
SCHEMBL6989432 0.96 STK17A (0.62) EGFRERBB2HPGDHTTSTK17A
SCHEMBL6993122 0.92 EGFR (0.60) EGFRERBB2HPGDHTTSTK17A
SCHEMBL8317785 0.88 EGFR (0.54) EGFRERBB2HPGDHTTSTK17A
SCHEMBL8317514 0.88 EGFR (0.54) EGFRERBB2HPGDHTTSTK17A
SCHEMBL8319127 0.86 EGFR (0.54) EGFRERBB2HPGDHTTSTK17A
SCHEMBL6999279 0.85 EGFR (0.56) EGFRERBB2HPGDHTTSTK17A
SCHEMBL8315925 0.85 EGFR (0.55) EGFRERBB2HPGDHTTSTK17A
SCHEMBL6990945 0.84 EGFR (0.57) EGFRERBB2HPGDHTTSTK17A
SCHEMBL8490032 0.84 EGFR (0.57) EGFRERBB2HPGDHTTSTK17A

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