SCHEMBL6997165

SCHEMBL6997165

CC(Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1)C(=O)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.57
ERBB2 P04626 12/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
ERBB4 Q15303 5/20 0.49
JAK3 P52333 1/20 0.49
MAPT P10636 1/20 0.48
MKNK2 Q9HBH9 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
SCHEMBL6995214 0.93 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL6994929 0.91 EGFR (0.60) EGFRERBB2HPGDHTTERBB4
SCHEMBL6997525 0.91 EGFR (0.67) EGFRERBB2HPGDHTTERBB4
SCHEMBL6986980 0.90 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL8488608 0.90 EGFR (0.58) EGFRERBB2HPGDHTTERBB4
SCHEMBL8486621 0.89 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL6990908 0.84 EGFR (0.58) EGFRERBB2HPGDHTTERBB4
SCHEMBL6999556 0.84 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL6999525 0.84 EGFR (0.57) EGFRERBB2HPGDHTTERBB4
SCHEMBL8319418 0.84 EGFR (0.58) EGFRERBB2HPGDHTTERBB4

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