SCHEMBL6994597

SCHEMBL6994597

CN(C)C1CCC(Nc2ncc3ncnc(Nc4ccc(OCc5ccccc5)c(Cl)c4)c3n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.54
ERBB2 P04626 12/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
IRAK4 Q9NWZ3 2/20 0.45
BCL6 P41182 1/20 0.44
GRM4 Q14833 1/20 0.43
CAMK2D Q13557 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
SCHEMBL6994603 1.00 EGFR (0.54) EGFRERBB2HPGDHTTIRAK4
SCHEMBL6999329 0.90 EGFR (0.55) EGFRERBB2HPGDHTTIRAK4
SCHEMBL6999324 0.90 EGFR (0.55) EGFRERBB2HPGDHTTIRAK4
SCHEMBL6992378 0.88 EGFR (0.48) EGFRERBB2HPGDHTTIRAK4
SCHEMBL6992382 0.88 EGFR (0.48) EGFRERBB2HPGDHTTIRAK4
SCHEMBL8314462 0.86 EGFR (0.63) EGFRERBB2HPGDHTTIRAK4
SCHEMBL8314464 0.86 EGFR (0.63) EGFRERBB2HPGDHTTIRAK4
SCHEMBL3473824 0.83 EGFR (0.76) EGFRERBB2HPGDHTTIRAK4
SCHEMBL6989676 0.83 EGFR (0.76) EGFRERBB2HPGDHTTIRAK4
SCHEMBL8316360 0.81 EGFR (0.57) EGFRERBB2HPGDHTTIRAK4

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