SCHEMBL8317381

SCHEMBL8317381

NC1CCC(Nc2ncc3ncnc(Nc4cccc(Cl)c4)c3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.58
ERBB2 P04626 1/20 0.58
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58
CDK1 P06493 3/20 0.54
PRKCA P17252 1/20 0.54
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A1 P68400 1/20 0.54
PAK4 O96013 1/20 0.53
PDGFRA P16234 7/20 0.53
CCNE1 P24864 7/20 0.53
CDK2 P24941 7/20 0.53
AXL P30530 1/20 0.50
TYRO3 Q06418 1/20 0.50
MERTK Q12866 1/20 0.50

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
SCHEMBL8317377 1.00 EGFR (0.58) EGFRERBB2HPGDHTTCDK1
SCHEMBL7142831 0.95 EGFR (0.62) EGFRERBB2HPGDHTTCSNK2A2
SCHEMBL8316918 0.90 EGFR (0.58) EGFRERBB2HPGDHTTCDK1
SCHEMBL8460531 0.90 EGFR (0.58) EGFRERBB2HPGDHTTCDK1
SCHEMBL8316922 0.90 EGFR (0.58) EGFRERBB2HPGDHTTCDK1
SCHEMBL8320683 0.88 EGFR (0.66) EGFRERBB2HPGDHTT
SCHEMBL8320678 0.88 EGFR (0.66) EGFRERBB2HPGDHTT
SCHEMBL8313632 0.88 EGFR (0.67) EGFRERBB2HPGDHTT
SCHEMBL8313624 0.88 EGFR (0.67) EGFRERBB2HPGDHTT
SCHEMBL8317294 0.88 EGFR (0.58) EGFRERBB2HPGDHTTCSNK2A2

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