SCHEMBL8312893

SCHEMBL8312893

Fc1ccc(Nc2ncnc3cnc(NCCN4CCCC4)nc23)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.64
ERBB2 P04626 4/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
MAPT P10636 1/20 0.53
ERBB4 Q15303 2/20 0.52
JAK3 P52333 1/20 0.49

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
SCHEMBL8317451 0.93 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997407 0.92 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317682 0.92 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314655 0.90 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8487142 0.90 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315059 0.89 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL7587577 0.89 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL6991323 0.88 EGFR (0.61) EGFRERBB2HPGDHTTMAPT
SCHEMBL6997201 0.87 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315593 0.87 EGFR (0.59) EGFRERBB2HPGDHTTMAPT

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