SCHEMBL6998327

SCHEMBL6998327

Cc1cccc(Nc2ncnc3cnc(NC4CCN(C#N)CC4)nc23)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.62
ERBB2 P04626 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
BRAF P15056 4/20 0.49
BRD4 O60885 2/20 0.47
JAK2 O60674 1/20 0.47

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
SCHEMBL8315128 0.90 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL8319428 0.89 EGFR (0.73) EGFRERBB2HPGDHTTBRAF
SCHEMBL8318072 0.87 EGFR (0.71) EGFRERBB2HPGDHTTBRAF
SCHEMBL8318282 0.87 EGFR (0.71) EGFRERBB2HPGDHTTBRAF
SCHEMBL8319537 0.86 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL6995022 0.86 EGFR (0.61) EGFRERBB2HPGDHTTBRAF
SCHEMBL8318606 0.86 EGFR (0.61) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315160 0.85 EGFR (0.60) EGFRERBB2HPGDHTTBRAF
SCHEMBL8313473 0.85 EGFR (0.59) EGFRERBB2HPGDHTTBRAF
SCHEMBL8313624 0.85 EGFR (0.67) EGFRERBB2HPGDHTTBRAF

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 disclosed
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 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
EP-0779888-A1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1997-06-25 EP disclosed
WO-1996007657-A1 PYRIMIDO[5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-03-14 WO disclosed