SCHEMBL8318904

SCHEMBL8318904

CNC(=O)CNc1ncc2ncnc(Nc3cccc(C)c3)c2n1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.70
SYK P43405 3/20 0.48
ZAP70 P43403 1/20 0.48
KCNH2 Q12809 1/20 0.48
AURKB Q96GD4 1/20 0.48
STAT6 P42226 1/20 0.47
ERBB2 P04626 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
SCHEMBL8319191 0.90 EGFR (0.69) EGFRSYKZAP70KCNH2AURKB
SCHEMBL8318142 0.89 EGFR (0.68) EGFRSYKZAP70KCNH2AURKB
SCHEMBL8316349 0.87 EGFR (0.66) EGFRSYKZAP70KCNH2AURKB
SCHEMBL8318090 0.84 EGFR (0.77) EGFR
SCHEMBL8315707 0.84 EGFR (0.62) EGFRSYKZAP70KCNH2AURKB
SCHEMBL8320643 0.83 EGFR (0.72) EGFRSYKZAP70KCNH2AURKB
SCHEMBL8315008 0.83 EGFR (1.00) EGFRERBB2
SCHEMBL8316963 0.83 EGFR (0.86) EGFRERBB2
SCHEMBL8317938 0.82 EGFR (0.73) EGFR
SCHEMBL8313521 0.82 EGFR (0.70) EGFRERBB2

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