SCHEMBL6997903

SCHEMBL6997903

CN1CCCCC1CCNc1ncc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.64
ERBB2 P04626 2/20 0.64
HPGD P15428 1/20 0.64
HTT P42858 1/20 0.64
MAPT P10636 1/20 0.54
CAMK2D Q13557 1/20 0.50
CSNK2A1 P68400 2/20 0.49
EPHA2 P29317 1/20 0.46
KDR P35968 1/20 0.46
EPHB4 P54760 1/20 0.46

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
SCHEMBL8312893 0.85 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990091 0.84 EGFR (0.58) EGFRERBB2HPGDHTTMAPT
SCHEMBL8317451 0.82 EGFR (0.69) EGFRERBB2HPGDHTTMAPT
SCHEMBL8487142 0.82 EGFR (0.64) EGFRERBB2HPGDHTTMAPT
SCHEMBL8314543 0.82 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994346 0.82 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6986993 0.81 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL6993117 0.81 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6987877 0.81 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL6994982 0.81 EGFR (0.63) 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