SCHEMBL4353386

SCHEMBL4353386

CCN(CC)CC(C)Nc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.58
ERBB2 P04626 9/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
ERBB4 Q15303 5/20 0.48
KDR P35968 2/20 0.47
FBP1 P09467 2/20 0.46
GRM1 Q13255 1/20 0.46
AURKA O14965 1/20 0.43
INSR P06213 1/20 0.43
PDGFRB P09619 1/20 0.43
FLT4 P35916 1/20 0.43
CLK1 P49759 1/20 0.43
EPHB4 P54760 1/20 0.43
TEK Q02763 1/20 0.43
AURKB Q96GD4 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
SCHEMBL6990991 0.87 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL8314431 0.87 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL8316049 0.87 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL6993701 0.85 EGFR (0.64) EGFRERBB2MAPTHPGDHTT
SCHEMBL8319458 0.83 EGFR (0.59) EGFRERBB2MAPTHPGDHTT
SCHEMBL6988056 0.83 EGFR (0.57) EGFRERBB2MAPTHPGDHTT
SCHEMBL6994789 0.82 EGFR (0.54) EGFRERBB2MAPTHPGDHTT
SCHEMBL8315885 0.81 EGFR (0.57) EGFRERBB2MAPTHPGDHTT
SCHEMBL4356366 0.81 EGFR (0.60) EGFRERBB2MAPTHPGDHTT
SCHEMBL8313815 0.81 EGFR (0.58) EGFRERBB2MAPTHPGDHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
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