SCHEMBL8320084

SCHEMBL8320084

CS(=O)(=O)c1ncc2ncnc(Nc3cccc(Br)c3)c2n1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.70
MEN1 O00255 1/20 0.53
ERBB2 P04626 1/20 0.53
KMT2A Q03164 1/20 0.53
TNK2 Q07912 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53

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
SCHEMBL6993872 0.87 EGFR (0.69) EGFR
SCHEMBL8314880 0.86 EGFR (0.53) EGFR
SCHEMBL8315330 0.86 EGFR (0.57) EGFRMEN1ERBB2KMT2AMKNK1
SCHEMBL6417047 0.86 EGFR (0.66) EGFRMEN1ERBB2KMT2A
SCHEMBL8315829 0.84 EGFR (0.51) EGFR
SCHEMBL8320237 0.84 EGFR (0.55) EGFRMEN1KMT2ATNK2
SCHEMBL8318188 0.84 EGFR (0.55) EGFR
SCHEMBL6994593 0.84 ABCG2 (0.54) EGFR
SCHEMBL6990835 0.84 EGFR (0.50) EGFR
SCHEMBL6995062 0.84 EGFR (0.51) EGFRERBB2MKNK1

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