SCHEMBL8317562

SCHEMBL8317562

Cc1cccc(Nc2ncnc3cnc(NCC(C)C)nc23)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.72
BRAF P15056 1/20 0.52
SYK P43405 2/20 0.51
HTT P42858 1/20 0.48
HIF1A Q16665 1/20 0.48

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
SCHEMBL8318090 0.88 EGFR (0.77) EGFRHTTHIF1A
SCHEMBL8314931 0.88 EGFR (0.67) EGFRSYK
SCHEMBL8316963 0.86 EGFR (0.86) EGFRHTTHIF1A
SCHEMBL8317938 0.86 EGFR (0.73) EGFRHTTHIF1A
SCHEMBL8318451 0.85 EGFR (0.77) EGFRHTTHIF1A
SCHEMBL8314771 0.85 EGFR (0.72) EGFRBRAFHTTHIF1A
SCHEMBL8317687 0.85 EGFR (0.72) EGFRHTTHIF1A
SCHEMBL8320643 0.85 EGFR (0.72) EGFRSYK
SCHEMBL8315008 0.84 EGFR (1.00) EGFRHTTHIF1A
SCHEMBL8315935 0.84 EGFR (0.71) EGFRHTTHIF1A

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