SCHEMBL8317471

SCHEMBL8317471

Cc1ccc(Nc2ncnc3cnc(NC4CC4)nc23)cc1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.61
HTT P42858 2/20 0.61
ERBB2 P04626 1/20 0.61
HPGD P15428 1/20 0.61
BRAF P15056 9/20 0.57
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8316261 0.90 EGFR (0.68) EGFRHTTERBB2HPGDBRAF
SCHEMBL8319961 0.87 EGFR (0.58) EGFRHTTERBB2HPGDBRAF
SCHEMBL8319410 0.86 EGFR (0.57) EGFRHTTERBB2HPGDBRAF
SCHEMBL8319428 0.85 EGFR (0.73) EGFRHTTERBB2HPGDBRAF
SCHEMBL8317704 0.84 EGFR (0.58) EGFRHTTERBB2HPGDBRAF
SCHEMBL8317453 0.84 EGFR (0.69) EGFRHTTERBB2HPGDBRAF
SCHEMBL8316240 0.84 EGFR (0.69) EGFRHTTERBB2HPGDBRAF
SCHEMBL8315188 0.83 BRAF (0.66) EGFRHTTERBB2HPGDBRAF
SCHEMBL8318401 0.82 EGFR (0.56) EGFRHTTERBB2HPGDBRAF
SCHEMBL8315463 0.82 EGFR (0.61) EGFRHTTERBB2HPGDBRAF

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