SCHEMBL6994263

SCHEMBL6994263

CCNCC1CCN(c2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.79
ERBB2 P04626 4/20 0.79
MAPT P10636 1/20 0.79
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
BRAF P15056 12/20 0.44
FBP1 P09467 1/20 0.44
GRM1 Q13255 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
SCHEMBL6991298 0.91 EGFR (0.79) EGFRERBB2MAPTHPGDHTT
SCHEMBL7585070 0.91 EGFR (0.72) EGFRERBB2MAPTHPGDHTT
SCHEMBL7587579 0.89 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL6999140 0.89 EGFR (0.73) EGFRERBB2MAPTHPGDHTT
SCHEMBL7581274 0.89 EGFR (0.70) EGFRERBB2MAPTHPGDHTT
SCHEMBL7574863 0.88 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL2394914 0.88 EGFR (1.00) EGFRERBB2MAPTHPGDHTT
SCHEMBL6995165 0.88 EGFR (0.76) EGFRERBB2MAPTHPGDHTT
SCHEMBL7588621 0.88 EGFR (0.69) EGFRERBB2MAPTHPGDHTT
SCHEMBL6991492 0.88 EGFR (0.78) 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 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