SCHEMBL6995224

SCHEMBL6995224

CN(c1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1)C1CCCCN1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.56
ERBB2 P04626 8/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
MAPT P10636 1/20 0.52
GRM1 Q13255 1/20 0.44
SRC P12931 1/20 0.42
ERBB4 Q15303 3/20 0.41
FBP1 P09467 2/20 0.41
AURKA O14965 1/20 0.41
INSR P06213 1/20 0.41
PDGFRB P09619 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CLK1 P49759 1/20 0.41
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41
AURKB Q96GD4 1/20 0.41
DYRK1A Q13627 1/20 0.41
CCNA2 P20248 1/20 0.40

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
SCHEMBL6990921 0.85 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993242 0.84 EGFR (0.55) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316549 0.81 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316553 0.81 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL6996564 0.81 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319823 0.81 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL7585192 0.81 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL7585182 0.81 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6986988 0.81 EGFR (0.72) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315789 0.80 EGFR (0.56) 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-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-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