SCHEMBL8314733

SCHEMBL8314733

COC(=O)C(C)(C)Nc1ncc2ncnc(Nc3cccc(C)c3)c2n1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.67
ERBB2 P04626 1/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL8320752 0.90 EGFR (0.69) EGFRERBB2HTTHIF1A
SCHEMBL8314355 0.89 EGFR (0.68) EGFRERBB2
SCHEMBL8313521 0.88 EGFR (0.70) EGFRERBB2HTTHIF1A
SCHEMBL8317941 0.87 EGFR (0.66) EGFRERBB2HTTHIF1A
SCHEMBL8317470 0.86 EGFR (0.77) EGFRHTTHIF1A
SCHEMBL8317851 0.86 EGFR (0.77) EGFRERBB2HTTHIF1A
SCHEMBL8319630 0.85 EGFR (0.71) EGFRERBB2HTTHIF1A
SCHEMBL8315252 0.84 EGFR (0.61) EGFRERBB2HTTHIF1A
SCHEMBL8315555 0.84 EGFR (0.61) EGFRERBB2
SCHEMBL8317657 0.84 EGFR (0.69) EGFRERBB2HTTHIF1A

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 1 patent. 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