SCHEMBL8317346

SCHEMBL8317346

c1cc(Nc2ncnc3cnc(NC4CC4)nc23)cc(OC2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.51
ERBB2 P04626 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
CSNK2A1 P68400 4/20 0.47
BRAF P15056 1/20 0.44
CTSC P53634 1/20 0.43
CSNK2A2 P19784 3/20 0.41
CSNK2B P67870 3/20 0.41

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
SCHEMBL8312571 0.88 CSNK2A1 (0.60) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8314012 0.85 SYK (0.53) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994609 0.83 BRAF (0.51) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL6994605 0.83 BRAF (0.51) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8318072 0.82 EGFR (0.71) EGFRERBB2HPGDHTTBRAF
SCHEMBL8317928 0.82 EGFR (0.60) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL7142831 0.82 EGFR (0.62) EGFRERBB2HPGDHTTCSNK2A1
SCHEMBL8316916 0.82 EGFR (0.55) EGFRERBB2HPGDHTTBRAF
SCHEMBL8319428 0.82 EGFR (0.73) EGFRERBB2HPGDHTTBRAF
SCHEMBL8316032 0.82 EGFR (0.72) EGFRERBB2HPGDHTT

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 5 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-0781284-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1997-07-02 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-1996008494-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1996-03-21 WO 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