SCHEMBL6992445

SCHEMBL6992445

CN1CCCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)C1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.81
ERBB2 P04626 6/20 0.81
HPGD P15428 1/20 0.81
HTT P42858 1/20 0.81
MAPT P10636 1/20 0.58
BCL6 P41182 2/20 0.49
CSNK2A1 P68400 1/20 0.47
ERBB4 Q15303 3/20 0.45
GRM1 Q13255 1/20 0.44
EPHA2 P29317 1/20 0.44
KDR P35968 1/20 0.44
EPHB4 P54760 1/20 0.44
AXL P30530 1/20 0.43

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
SCHEMBL8315459 0.95 EGFR (0.90) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29387986 0.89 EGFR (1.00) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL158563 0.89 EGFR (1.00) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989080 0.89 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29403789 0.89 EGFR (0.98) EGFRERBB2HPGDHTTMAPT
Falnidamol SCHEMBL29409569 0.89 EGFR (0.98) EGFRERBB2HPGDHTTMAPT
SCHEMBL8318350 0.88 EGFR (0.71) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317593 0.88 EGFR (0.70) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314697 0.86 EGFR (0.68) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314263 0.86 EGFR (0.84) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP claimed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO claimed
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
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-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed