SCHEMBL8315593

SCHEMBL8315593

COC(=O)N1CCN(CCNc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.59
ERBB2 P04626 6/20 0.59
HPGD P15428 1/20 0.59
HTT P42858 1/20 0.59
BRAF P15056 8/20 0.53
ERBB4 Q15303 2/20 0.49
CSNK2A1 P68400 1/20 0.48
MAPT P10636 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL6998951 0.93 EGFR (0.56) EGFRERBB2HPGDHTTBRAF
SCHEMBL6991323 0.92 EGFR (0.61) EGFRERBB2HPGDHTTBRAF
SCHEMBL8319020 0.90 EGFR (0.59) EGFRERBB2HPGDHTTBRAF
SCHEMBL8487002 0.89 EGFR (0.59) EGFRERBB2HPGDHTTERBB4
SCHEMBL8317451 0.89 EGFR (0.69) EGFRERBB2HPGDHTTBRAF
SCHEMBL7587577 0.88 EGFR (0.57) EGFRERBB2HPGDHTTBRAF
SCHEMBL6995186 0.88 EGFR (0.58) EGFRERBB2HPGDHTTBRAF
SCHEMBL6990172 0.88 EGFR (0.59) EGFRERBB2HPGDHTTBRAF
SCHEMBL7575756 0.87 EGFR (0.55) EGFRERBB2HPGDHTTBRAF
SCHEMBL8312893 0.87 EGFR (0.64) EGFRERBB2HPGDHTTERBB4

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