SCHEMBL8315898

SCHEMBL8315898

Cc1cccc(Nc2ncnc3cnc(NCC4CC5CCC4C5)nc23)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.60
SYK P43405 2/20 0.42
KCNH2 Q12809 2/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
AURKB Q96GD4 1/20 0.42
KHK P50053 1/20 0.42

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
SCHEMBL8314185 0.84 EGFR (0.63) EGFRSYKKCNH2MAPK3MAPK1
SCHEMBL8317556 0.83 EGFR (0.67) EGFRSYKKCNH2MAPK3MAPK1
SCHEMBL8314443 0.82 EGFR (0.60) EGFR
SCHEMBL8318090 0.80 EGFR (0.77) EGFR
SCHEMBL8315088 0.79 EGFR (0.62) EGFR
SCHEMBL8316963 0.78 EGFR (0.86) EGFRMAPK1
SCHEMBL8317938 0.78 EGFR (0.73) EGFR
SCHEMBL8319428 0.78 EGFR (0.73) EGFRSYKKCNH2MAPK3MAPK1
SCHEMBL8320643 0.77 EGFR (0.72) EGFRSYKKCNH2AURKB
SCHEMBL8314771 0.77 EGFR (0.72) EGFR

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