SCHEMBL8315669

SCHEMBL8315669

CC(C)(C)c1ccc(Nc2ncnc3cnc(NC4CC4)nc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.56
ERBB2 P04626 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
BRAF P15056 10/20 0.48
ULK1 O75385 1/20 0.42
ULK2 Q8IYT8 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL8319961 0.87 EGFR (0.58) EGFRERBB2HPGDHTTBRAF
SCHEMBL8321212 0.85 EGFR (0.64) EGFRERBB2HPGDHTTBRAF
SCHEMBL8315463 0.85 EGFR (0.61) EGFRERBB2HPGDHTTBRAF
SCHEMBL8318401 0.85 EGFR (0.56) EGFRERBB2HPGDHTTBRAF
SCHEMBL8320082 0.84 EGFR (0.56) EGFRERBB2HPGDHTTBRAF
SCHEMBL8317471 0.82 EGFR (0.61) EGFRERBB2HPGDHTTBRAF
SCHEMBL8319410 0.81 EGFR (0.57) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316240 0.80 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL8317453 0.80 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL8317704 0.80 EGFR (0.58) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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